data_01src946
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C24 H30 F6 N3 O7 P3'
_chemical_formula_weight          679.42
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/n
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
 
_cell_length_a                    15.3839(4)
_cell_length_b                    8.0685(2)
_cell_length_c                    24.1935(9)
_cell_angle_alpha                 90.00
_cell_angle_beta                  105.8770(10)
_cell_angle_gamma                 90.00
_cell_volume                      2888.46(15)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     10029
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.18
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.03
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.562
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1400
_exptl_absorpt_coefficient_mu     0.294
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9491
_exptl_absorpt_correction_T_max   0.9912
_exptl_absorpt_process_details    'SORTAV Blessing (1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD'
_diffrn_measurement_method        'Φ & ω scans'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             22797
_diffrn_reflns_av_R_equivalents   0.0825
_diffrn_reflns_av_sigmaI/netI     0.1092
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -10
_diffrn_reflns_limit_k_max        8
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          3.07
_diffrn_reflns_theta_max          27.47
_reflns_number_total              6488
_reflns_number_gt                 3777
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)' 
_computing_cell_refinement        'DENZO & COLLECT'
_computing_data_reduction         'DENZO & COLLECT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0463P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.0013(3)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          6488
_refine_ls_number_parameters      389
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1175
_refine_ls_R_factor_gt            0.0496
_refine_ls_wR_factor_ref          0.1144
_refine_ls_wR_factor_gt           0.0922
_refine_ls_goodness_of_fit_ref    0.977
_refine_ls_restrained_S_all       0.977
_refine_ls_shift/su_max           0.006
_refine_ls_shift/su_mean          0.001
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
C1 C 0.30632(19) 0.4338(4) 0.06173(11) 0.0266(7) Uani 1 1 d . . .
H1A H 0.2541 0.4680 0.0756 0.032 Uiso 1 1 calc R . .
H1B H 0.3253 0.3214 0.0767 0.032 Uiso 1 1 calc R . .
C2 C 0.28124(19) 0.4340(4) -0.00210(12) 0.0269(7) Uani 1 1 d . . .
C3 C 0.17222(17) 0.9621(4) 0.11787(11) 0.0233(6) Uani 1 1 d . . .
H3A H 0.1375 1.0577 0.1262 0.028 Uiso 1 1 calc R . .
H3B H 0.1631 0.8671 0.1416 0.028 Uiso 1 1 calc R . .
C4 C 0.14009(19) 0.9187(4) 0.05592(12) 0.0269(7) Uani 1 1 d . . .
C5 C 0.42024(18) 0.4028(4) 0.23410(11) 0.0242(6) Uani 1 1 d . . .
H5A H 0.4098 0.2839 0.2401 0.029 Uiso 1 1 calc R . .
H5B H 0.3717 0.4672 0.2439 0.029 Uiso 1 1 calc R . .
C6 C 0.51021(19) 0.4538(4) 0.27284(11) 0.0259(7) Uani 1 1 d . . .
H6A H 0.5600 0.4020 0.2604 0.031 Uiso 1 1 calc R . .
H6B H 0.5173 0.5758 0.2725 0.031 Uiso 1 1 calc R . .
C7 C 0.59025(19) 0.4441(4) 0.37193(12) 0.0302(7) Uani 1 1 d . . .
H7A H 0.6436 0.4048 0.3603 0.036 Uiso 1 1 calc R . .
H7B H 0.5901 0.3860 0.4080 0.036 Uiso 1 1 calc R . .
C8 C 0.60045(18) 0.6261(4) 0.38397(12) 0.0271(7) Uani 1 1 d . . .
H8A H 0.6563 0.6474 0.4151 0.032 Uiso 1 1 calc R . .
H8B H 0.6050 0.6860 0.3491 0.032 Uiso 1 1 calc R . .
C9 C 0.52831(18) 0.8561(4) 0.41135(13) 0.0290(7) Uani 1 1 d . . .
H9A H 0.5325 0.9164 0.3765 0.035 Uiso 1 1 calc R . .
H9B H 0.5827 0.8825 0.4430 0.035 Uiso 1 1 calc R . .
C10 C 0.44546(18) 0.9086(4) 0.42728(12) 0.0283(7) Uani 1 1 d . . .
H10A H 0.4440 0.8518 0.4633 0.034 Uiso 1 1 calc R . .
H10B H 0.4489 1.0293 0.4349 0.034 Uiso 1 1 calc R . .
C11 C 0.34972(19) 0.9633(4) 0.33199(11) 0.0264(7) Uani 1 1 d . . .
H11A H 0.4027 1.0345 0.3334 0.032 Uiso 1 1 calc R . .
H11B H 0.2957 1.0350 0.3260 0.032 Uiso 1 1 calc R . .
C12 C 0.3367(2) 0.8411(4) 0.28409(11) 0.0278(7) Uani 1 1 d . . .
H12A H 0.3954 0.7913 0.2838 0.033 Uiso 1 1 calc R . .
H12B H 0.2957 0.7512 0.2891 0.033 Uiso 1 1 calc R . .
C13 C 0.54897(17) 0.9977(3) 0.11897(11) 0.0221(6) Uani 1 1 d . . .
C14 C 0.60246(19) 0.9212(4) 0.08832(12) 0.0291(7) Uani 1 1 d . . .
H14 H 0.6233 0.8111 0.0976 0.035 Uiso 1 1 calc R . .
C15 C 0.6252(2) 1.0045(4) 0.04477(13) 0.0369(8) Uani 1 1 d . . .
H15 H 0.6619 0.9518 0.0241 0.044 Uiso 1 1 calc R . .
C16 C 0.5950(2) 1.1645(4) 0.03084(13) 0.0353(8) Uani 1 1 d . . .
H16 H 0.6100 1.2209 0.0002 0.042 Uiso 1 1 calc R . .
C17 C 0.54328(19) 1.2420(4) 0.06134(13) 0.0323(8) Uani 1 1 d . . .
H17 H 0.5231 1.3524 0.0520 0.039 Uiso 1 1 calc R . .
C18 C 0.52048(18) 1.1603(4) 0.10542(12) 0.0267(7) Uani 1 1 d . . .
H18 H 0.4853 1.2150 0.1266 0.032 Uiso 1 1 calc R . .
C19 C 0.60959(17) 0.8989(3) 0.23775(11) 0.0199(6) Uani 1 1 d . . .
C20 C 0.61259(18) 1.0190(3) 0.27932(12) 0.0237(6) Uani 1 1 d . . .
H20 H 0.5640 1.0952 0.2747 0.028 Uiso 1 1 calc R . .
C21 C 0.68568(18) 1.0286(4) 0.32734(12) 0.0265(7) Uani 1 1 d . . .
H21 H 0.6869 1.1105 0.3558 0.032 Uiso 1 1 calc R . .
C22 C 0.75699(18) 0.9198(4) 0.33423(12) 0.0282(7) Uani 1 1 d . . .
H22 H 0.8077 0.9280 0.3670 0.034 Uiso 1 1 calc R . .
C23 C 0.75470(19) 0.7992(4) 0.29360(12) 0.0337(8) Uani 1 1 d . . .
H23 H 0.8035 0.7233 0.2986 0.040 Uiso 1 1 calc R . .
C24 C 0.68116(18) 0.7885(4) 0.24537(12) 0.0289(7) Uani 1 1 d . . .
H24 H 0.6798 0.7051 0.2174 0.035 Uiso 1 1 calc R . .
N1 N 0.33017(13) 0.7066(3) 0.16249(9) 0.0198(5) Uani 1 1 d . . .
N2 N 0.43216(14) 0.9822(3) 0.18728(9) 0.0209(5) Uani 1 1 d . . .
N3 N 0.50191(13) 0.6960(3) 0.15597(9) 0.0202(5) Uani 1 1 d . . .
O1 O 0.37931(11) 0.5486(2) 0.08091(7) 0.0220(4) Uani 1 1 d . . .
O2 O 0.26641(11) 1.0034(2) 0.13145(7) 0.0217(4) Uani 1 1 d . . .
O3 O 0.41684(12) 0.4304(2) 0.17469(7) 0.0217(4) Uani 1 1 d . . .
O4 O 0.51064(13) 0.3981(2) 0.32838(7) 0.0279(5) Uani 1 1 d . . .
O5 O 0.52409(12) 0.6830(2) 0.40069(8) 0.0272(5) Uani 1 1 d . . .
O6 O 0.36358(12) 0.8736(2) 0.38419(8) 0.0274(5) Uani 1 1 d . . .
O7 O 0.29802(12) 0.9283(2) 0.23075(7) 0.0227(4) Uani 1 1 d . . .
F1 F 0.35004(11) 0.3951(2) -0.02316(7) 0.0376(5) Uani 1 1 d . . .
F2 F 0.21548(12) 0.3238(2) -0.02294(7) 0.0463(5) Uani 1 1 d . . .
F3 F 0.25101(11) 0.5803(2) -0.02512(7) 0.0338(4) Uani 1 1 d . . .
F4 F 0.18624(12) 0.7925(2) 0.04156(8) 0.0503(5) Uani 1 1 d . . .
F5 F 0.14593(12) 1.0434(2) 0.02171(7) 0.0453(5) Uani 1 1 d . . .
F6 F 0.05335(11) 0.8715(2) 0.04226(7) 0.0391(5) Uani 1 1 d . . .
P1 P 0.40851(4) 0.60711(9) 0.14597(3) 0.01907(18) Uani 1 1 d . . .
P2 P 0.33745(4) 0.89744(9) 0.17773(3) 0.01903(18) Uani 1 1 d . . .
P3 P 0.51600(4) 0.88728(9) 0.17412(3) 0.01985(18) Uani 1 1 d . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
C1 O1 1.431(3) . ?
C1 C2 1.486(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 F1 1.332(3) . ?
C2 F3 1.333(3) . ?
C2 F2 1.338(3) . ?
C3 O2 1.434(3) . ?
C3 C4 1.486(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 F5 1.322(3) . ?
C4 F6 1.339(3) . ?
C4 F4 1.340(3) . ?
C5 O3 1.441(3) . ?
C5 C6 1.501(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 O4 1.415(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 O4 1.429(3) . ?
C7 C8 1.497(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 O5 1.419(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 O5 1.418(3) . ?
C9 C10 1.491(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O6 1.426(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 O6 1.420(3) . ?
C11 C12 1.493(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 O7 1.447(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.393(4) . ?
C13 C18 1.394(4) . ?
C13 P3 1.789(3) . ?
C14 C15 1.373(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.375(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.389(4) . ?
C19 C20 1.389(4) . ?
C19 P3 1.800(3) . ?
C20 C21 1.380(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.379(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.377(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
N1 P2 1.581(2) . ?
N1 P1 1.587(2) . ?
N2 P2 1.569(2) . ?
N2 P3 1.605(2) . ?
N3 P1 1.565(2) . ?
N3 P3 1.603(2) . ?
O1 P1 1.5861(18) . ?
O2 P2 1.5840(18) . ?
O3 P1 1.5763(19) . ?
O7 P2 1.5814(18) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
O1 C1 C2 107.1(2) . . ?
O1 C1 H1A 110.3 . . ?
C2 C1 H1A 110.3 . . ?
O1 C1 H1B 110.3 . . ?
C2 C1 H1B 110.3 . . ?
H1A C1 H1B 108.6 . . ?
F1 C2 F3 105.8(2) . . ?
F1 C2 F2 107.3(2) . . ?
F3 C2 F2 106.8(2) . . ?
F1 C2 C1 113.0(2) . . ?
F3 C2 C1 113.4(2) . . ?
F2 C2 C1 110.2(2) . . ?
O2 C3 C4 108.8(2) . . ?
O2 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
O2 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
F5 C4 F6 107.2(2) . . ?
F5 C4 F4 106.5(2) . . ?
F6 C4 F4 106.4(2) . . ?
F5 C4 C3 113.0(2) . . ?
F6 C4 C3 110.5(2) . . ?
F4 C4 C3 112.8(2) . . ?
O3 C5 C6 110.9(2) . . ?
O3 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
O3 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
O4 C6 C5 105.6(2) . . ?
O4 C6 H6A 110.6 . . ?
C5 C6 H6A 110.6 . . ?
O4 C6 H6B 110.6 . . ?
C5 C6 H6B 110.6 . . ?
H6A C6 H6B 108.7 . . ?
O4 C7 C8 114.9(2) . . ?
O4 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
O4 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
O5 C8 C7 108.8(2) . . ?
O5 C8 H8A 109.9 . . ?
C7 C8 H8A 109.9 . . ?
O5 C8 H8B 109.9 . . ?
C7 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
O5 C9 C10 109.1(2) . . ?
O5 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
O5 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
O6 C10 C9 113.7(2) . . ?
O6 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
O6 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
O6 C11 C12 108.0(2) . . ?
O6 C11 H11A 110.1 . . ?
C12 C11 H11A 110.1 . . ?
O6 C11 H11B 110.1 . . ?
C12 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
O7 C12 C11 107.8(2) . . ?
O7 C12 H12A 110.1 . . ?
C11 C12 H12A 110.1 . . ?
O7 C12 H12B 110.1 . . ?
C11 C12 H12B 110.1 . . ?
H12A C12 H12B 108.5 . . ?
C14 C13 C18 119.0(3) . . ?
C14 C13 P3 120.4(2) . . ?
C18 C13 P3 120.6(2) . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.3(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 120.1(3) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C24 C19 C20 118.9(2) . . ?
C24 C19 P3 120.0(2) . . ?
C20 C19 P3 121.1(2) . . ?
C21 C20 C19 120.4(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.0(3) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
P2 N1 P1 122.76(13) . . ?
P2 N2 P3 121.81(14) . . ?
P1 N3 P3 122.24(13) . . ?
C1 O1 P1 119.89(16) . . ?
C3 O2 P2 119.68(17) . . ?
C5 O3 P1 123.76(17) . . ?
C6 O4 C7 113.4(2) . . ?
C9 O5 C8 111.7(2) . . ?
C11 O6 C10 115.9(2) . . ?
C12 O7 P2 119.43(17) . . ?
N3 P1 O3 112.73(11) . . ?
N3 P1 O1 106.78(11) . . ?
O3 P1 O1 97.76(10) . . ?
N3 P1 N1 117.24(12) . . ?
O3 P1 N1 108.79(11) . . ?
O1 P1 N1 111.83(11) . . ?
N2 P2 N1 117.58(12) . . ?
N2 P2 O7 111.04(11) . . ?
N1 P2 O7 108.91(11) . . ?
N2 P2 O2 107.59(11) . . ?
N1 P2 O2 111.70(11) . . ?
O7 P2 O2 98.33(10) . . ?
N3 P3 N2 117.27(11) . . ?
N3 P3 C13 108.64(12) . . ?
N2 P3 C13 108.51(13) . . ?
N3 P3 C19 107.51(12) . . ?
N2 P3 C19 107.68(12) . . ?
C13 P3 C19 106.76(12) . . ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
O1 C1 C2 F1 57.5(3) . . . . ?
O1 C1 C2 F3 -62.8(3) . . . . ?
O1 C1 C2 F2 177.5(2) . . . . ?
O2 C3 C4 F5 -62.9(3) . . . . ?
O2 C3 C4 F6 177.0(2) . . . . ?
O2 C3 C4 F4 58.0(3) . . . . ?
O3 C5 C6 O4 -171.3(2) . . . . ?
O4 C7 C8 O5 58.3(3) . . . . ?
O5 C9 C10 O6 -58.9(3) . . . . ?
O6 C11 C12 O7 164.2(2) . . . . ?
C18 C13 C14 C15 -1.1(4) . . . . ?
P3 C13 C14 C15 177.9(2) . . . . ?
C13 C14 C15 C16 -0.2(4) . . . . ?
C14 C15 C16 C17 1.2(4) . . . . ?
C15 C16 C17 C18 -0.7(4) . . . . ?
C16 C17 C18 C13 -0.7(4) . . . . ?
C14 C13 C18 C17 1.6(4) . . . . ?
P3 C13 C18 C17 -177.4(2) . . . . ?
C24 C19 C20 C21 0.1(4) . . . . ?
P3 C19 C20 C21 -178.7(2) . . . . ?
C19 C20 C21 C22 0.7(4) . . . . ?
C20 C21 C22 C23 -1.1(4) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C23 C24 C19 0.0(4) . . . . ?
C20 C19 C24 C23 -0.5(4) . . . . ?
P3 C19 C24 C23 178.3(2) . . . . ?
C2 C1 O1 P1 166.95(18) . . . . ?
C4 C3 O2 P2 -119.2(2) . . . . ?
C6 C5 O3 P1 -73.5(3) . . . . ?
C5 C6 O4 C7 -176.9(2) . . . . ?
C8 C7 O4 C6 67.3(3) . . . . ?
C10 C9 O5 C8 178.6(2) . . . . ?
C7 C8 O5 C9 -178.5(2) . . . . ?
C12 C11 O6 C10 123.1(2) . . . . ?
C9 C10 O6 C11 -66.5(3) . . . . ?
C11 C12 O7 P2 134.7(2) . . . . ?
P3 N3 P1 O3 -135.42(14) . . . . ?
P3 N3 P1 O1 118.37(15) . . . . ?
P3 N3 P1 N1 -7.9(2) . . . . ?
C5 O3 P1 N3 84.1(2) . . . . ?
C5 O3 P1 O1 -164.04(18) . . . . ?
C5 O3 P1 N1 -47.8(2) . . . . ?
C1 O1 P1 N3 167.0(2) . . . . ?
C1 O1 P1 O3 50.4(2) . . . . ?
C1 O1 P1 N1 -63.5(2) . . . . ?
P2 N1 P1 N3 10.9(2) . . . . ?
P2 N1 P1 O3 140.30(14) . . . . ?
P2 N1 P1 O1 -112.85(15) . . . . ?
P3 N2 P2 N1 8.0(2) . . . . ?
P3 N2 P2 O7 134.31(15) . . . . ?
P3 N2 P2 O2 -119.14(16) . . . . ?
P1 N1 P2 N2 -11.0(2) . . . . ?
P1 N1 P2 O7 -138.35(14) . . . . ?
P1 N1 P2 O2 114.12(15) . . . . ?
C12 O7 P2 N2 -73.2(2) . . . . ?
C12 O7 P2 N1 57.8(2) . . . . ?
C12 O7 P2 O2 174.21(19) . . . . ?
C3 O2 P2 N2 -174.73(18) . . . . ?
C3 O2 P2 N1 54.8(2) . . . . ?
C3 O2 P2 O7 -59.45(19) . . . . ?
P1 N3 P3 N2 5.3(2) . . . . ?
P1 N3 P3 C13 -118.16(16) . . . . ?
P1 N3 P3 C19 126.65(16) . . . . ?
P2 N2 P3 N3 -5.2(2) . . . . ?
P2 N2 P3 C13 118.26(16) . . . . ?
P2 N2 P3 C19 -126.53(16) . . . . ?
C14 C13 P3 N3 -33.9(3) . . . . ?
C18 C13 P3 N3 145.1(2) . . . . ?
C14 C13 P3 N2 -162.4(2) . . . . ?
C18 C13 P3 N2 16.6(2) . . . . ?
C14 C13 P3 C19 81.8(2) . . . . ?
C18 C13 P3 C19 -99.2(2) . . . . ?
C24 C19 P3 N3 33.5(3) . . . . ?
C20 C19 P3 N3 -147.7(2) . . . . ?
C24 C19 P3 N2 160.7(2) . . . . ?
C20 C19 P3 N2 -20.5(3) . . . . ?
C24 C19 P3 C13 -82.9(2) . . . . ?
C20 C19 P3 C13 95.8(2) . . . . ?
 
_diffrn_measured_fraction_theta_max    0.980
_diffrn_reflns_theta_full              27.47
_diffrn_measured_fraction_theta_full   0.980
_refine_diff_density_max    0.377
_refine_diff_density_min   -0.375
_refine_diff_density_rms    0.077
