 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          '	C25 H43 N2, F6 P'
_chemical_formula_sum
 'C25 H43 F6 N2 P'
_chemical_formula_weight          516.58
 
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'
 '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)/c
_symmetry_space_group_name_hall   '-P 2ybc'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    8.2038(2)
_cell_length_b                    9.2704(2)
_cell_length_c                    35.2128(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  91.4680(10)
_cell_angle_gamma                 90.00
_cell_volume                      2677.14(11)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     33453
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.2
_exptl_crystal_size_min           0.2
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.282
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1104
_exptl_absorpt_coefficient_mu     0.160
_exptl_absorpt_correction_type    Multi-scan
_exptl_absorpt_correction_T_min   0.90639
_exptl_absorpt_correction_T_max   1.05624
_exptl_absorpt_process_details    'SORTAV (R.H. BLESSING, 1995, 1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method        'ω and φ scans to fill Ewald sphere'
_diffrn_detector_area_resol_mean  '9.091 pixels/mm'
_diffrn_standards_number          'n/a'
_diffrn_standards_interval_count  'n/a'
_diffrn_standards_interval_time   'n/a'
_diffrn_standards_decay_%         'n/a'
_diffrn_reflns_number             8860
_diffrn_reflns_av_R_equivalents   0.0549
_diffrn_reflns_av_sigmaI/netI     0.0791
_diffrn_reflns_limit_h_min        -9
_diffrn_reflns_limit_h_max        9
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -41
_diffrn_reflns_limit_l_max        41
_diffrn_reflns_theta_min          3.19
_diffrn_reflns_theta_max          25.03
_reflns_number_total              4688
_reflns_number_gt                 3500
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_cell_refinement        'DENZO and COLLECT'
_computing_data_reduction         'DENZO and COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     ?
_computing_publication_material   SHELXL-97
 
_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 > 2σ(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)+(0.0937P)²+27.9481P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.0065(17)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          4688
_refine_ls_number_parameters      310
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1336
_refine_ls_R_factor_gt            0.1067
_refine_ls_wR_factor_ref          0.2945
_refine_ls_wR_factor_gt           0.2789
_refine_ls_goodness_of_fit_ref    0.977
_refine_ls_restrained_S_all       0.977
_refine_ls_shift/su_max           0.009
_refine_ls_shift/su_mean          0.002
 
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
P1 P 0.03623(18) 0.37737(17) 0.20339(5) 0.0235(5) Uani 1 1 d . . .
F4 F 0.2141(4) 0.3747(4) 0.22292(11) 0.0344(10) Uani 1 1 d . . .
F1 F -0.1417(5) 0.3823(4) 0.18339(14) 0.0478(12) Uani 1 1 d . . .
N1 N -0.7852(5) 0.3461(5) 0.31668(14) 0.0196(11) Uani 1 1 d . . .
N2 N -0.5843(6) 0.1948(5) 0.30933(13) 0.0205(11) Uani 1 1 d . . .
C14 C -0.6937(8) 0.4008(7) 0.54069(18) 0.0272(14) Uani 1 1 d . . .
H14A H -0.7850 0.3375 0.5479 0.033 Uiso 1 1 calc R . .
H14B H -0.5995 0.3386 0.5349 0.033 Uiso 1 1 calc R . .
C23 C -0.2184(8) 0.0984(7) 0.51928(18) 0.0283(14) Uani 1 1 d . . .
H23A H -0.3102 0.1613 0.5264 0.034 Uiso 1 1 calc R . .
H23B H -0.1272 0.1615 0.5118 0.034 Uiso 1 1 calc R . .
C21 C -0.3150(8) 0.0953(7) 0.44998(18) 0.0288(14) Uani 1 1 d . . .
H21A H -0.2183 0.1518 0.4427 0.035 Uiso 1 1 calc R . .
H21B H -0.4025 0.1644 0.4562 0.035 Uiso 1 1 calc R . .
C3 C -0.4826(7) 0.6197(7) 0.28869(17) 0.0245(13) Uani 1 1 d . . .
H3 H -0.4648 0.7196 0.2844 0.029 Uiso 1 1 calc R . .
C10 C -0.8689(8) 0.3910(7) 0.39969(18) 0.0289(14) Uani 1 1 d . . .
H10A H -0.9516 0.3159 0.4045 0.035 Uiso 1 1 calc R . .
H10B H -0.7662 0.3420 0.3931 0.035 Uiso 1 1 calc R . .
C8 C -0.9436(7) 0.4030(7) 0.32849(18) 0.0262(14) Uani 1 1 d . . .
H8A H -1.0213 0.3222 0.3313 0.031 Uiso 1 1 calc R . .
H8B H -0.9881 0.4686 0.3086 0.031 Uiso 1 1 calc R . .
C7 C -0.7401(7) 0.2092(7) 0.31837(17) 0.0238(13) Uani 1 1 d . . .
H7 H -0.8095 0.1317 0.3251 0.029 Uiso 1 1 calc R . .
C12 C -0.7877(8) 0.3923(7) 0.47061(18) 0.0288(14) Uani 1 1 d . . .
H12A H -0.8773 0.3262 0.4773 0.035 Uiso 1 1 calc R . .
H12B H -0.6919 0.3328 0.4643 0.035 Uiso 1 1 calc R . .
C9 C -0.9270(7) 0.4849(7) 0.36618(17) 0.0274(14) Uani 1 1 d . . .
H9A H -1.0340 0.5274 0.3722 0.033 Uiso 1 1 calc R . .
H9B H -0.8489 0.5652 0.3631 0.033 Uiso 1 1 calc R . .
C13 C -0.7443(8) 0.4872(7) 0.50490(18) 0.0280(14) Uani 1 1 d . . .
H13A H -0.8396 0.5480 0.5108 0.034 Uiso 1 1 calc R . .
H13B H -0.6538 0.5523 0.4982 0.034 Uiso 1 1 calc R . .
F3 F 0.0784(5) 0.5221(5) 0.18173(15) 0.0616(15) Uani 1 1 d . . .
C6 C -0.5264(7) 0.3320(6) 0.30130(16) 0.0195(12) Uani 1 1 d . . .
C1 C -0.6512(7) 0.4287(6) 0.30594(16) 0.0208(12) Uani 1 1 d . . .
C18 C -0.4799(8) -0.0103(7) 0.34868(17) 0.0270(14) Uani 1 1 d . . .
H18A H -0.4132 -0.0990 0.3471 0.032 Uiso 1 1 calc R . .
H18B H -0.5905 -0.0392 0.3563 0.032 Uiso 1 1 calc R . .
C11 C -0.8403(8) 0.4805(7) 0.43576(18) 0.0292(15) Uani 1 1 d . . .
H11A H -0.9421 0.5326 0.4415 0.035 Uiso 1 1 calc R . .
H11B H -0.7553 0.5535 0.4309 0.035 Uiso 1 1 calc R . .
C5 C -0.3693(7) 0.3772(7) 0.28961(17) 0.0227(13) Uani 1 1 d . . .
H5 H -0.2823 0.3114 0.2860 0.027 Uiso 1 1 calc R . .
F2 F -0.0320(6) 0.4664(7) 0.23699(13) 0.0752(18) Uani 1 1 d . . .
C20 C -0.3718(8) 0.0031(7) 0.41625(18) 0.0297(15) Uani 1 1 d . . .
H20A H -0.2874 -0.0704 0.4114 0.036 Uiso 1 1 calc R . .
H20B H -0.4725 -0.0484 0.4232 0.036 Uiso 1 1 calc R . .
C19 C -0.4057(8) 0.0871(7) 0.37966(17) 0.0271(14) Uani 1 1 d . . .
H19A H -0.3026 0.1291 0.3707 0.033 Uiso 1 1 calc R . .
H19B H -0.4816 0.1673 0.3848 0.033 Uiso 1 1 calc R . .
C4 C -0.3533(7) 0.5252(7) 0.28392(17) 0.0259(14) Uani 1 1 d . . .
H4 H -0.2510 0.5626 0.2766 0.031 Uiso 1 1 calc R . .
C15 C -0.6478(8) 0.4992(7) 0.57411(19) 0.0314(15) Uani 1 1 d . . .
H15A H -0.5564 0.5623 0.5668 0.038 Uiso 1 1 calc R . .
H15B H -0.7420 0.5616 0.5798 0.038 Uiso 1 1 calc R . .
C22 C -0.2717(8) 0.0064(7) 0.48519(18) 0.0286(14) Uani 1 1 d . . .
H22A H -0.1825 -0.0611 0.4791 0.034 Uiso 1 1 calc R . .
H22B H -0.3676 -0.0518 0.4921 0.034 Uiso 1 1 calc R . .
C16 C -0.5978(10) 0.4143(8) 0.6098(2) 0.0399(17) Uani 1 1 d . . .
H16B H -0.6887 0.3531 0.6175 0.060 Uiso 1 1 calc R . .
H16C H -0.5696 0.4817 0.6304 0.060 Uiso 1 1 calc R . .
H16A H -0.5032 0.3539 0.6045 0.060 Uiso 1 1 calc R . .
C17 C -0.4919(8) 0.0572(7) 0.30977(18) 0.0275(14) Uani 1 1 d . . .
H17A H -0.3806 0.0753 0.3006 0.033 Uiso 1 1 calc R . .
H17B H -0.5460 -0.0115 0.2920 0.033 Uiso 1 1 calc R . .
F5 F 0.1055(7) 0.2894(7) 0.16893(16) 0.085(2) Uani 1 1 d . . .
C2 C -0.6363(7) 0.5758(6) 0.29940(17) 0.0226(13) Uani 1 1 d . . .
H2 H -0.7245 0.6412 0.3021 0.027 Uiso 1 1 calc R . .
C24 C -0.1644(8) 0.0090(7) 0.55372(18) 0.0314(15) Uani 1 1 d . . .
H24A H -0.2561 -0.0531 0.5614 0.038 Uiso 1 1 calc R . .
H24B H -0.0736 -0.0548 0.5465 0.038 Uiso 1 1 calc R . .
F6 F -0.0066(6) 0.2313(6) 0.2230(2) 0.090(2) Uani 1 1 d . . .
C25 C -0.1091(9) 0.1005(8) 0.58757(19) 0.0404(18) Uani 1 1 d . . .
H25C H -0.0272 0.1702 0.5795 0.061 Uiso 1 1 calc R . .
H25B H -0.0616 0.0380 0.6074 0.061 Uiso 1 1 calc R . .
H25D H -0.2029 0.1521 0.5976 0.061 Uiso 1 1 calc R . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
P1 F2 1.558(5) . ?
P1 F6 1.563(5) . ?
P1 F5 1.580(5) . ?
P1 F3 1.586(5) . ?
P1 F4 1.597(4) . ?
P1 F1 1.605(4) . ?
N1 C7 1.323(8) . ?
N1 C1 1.399(7) . ?
N1 C8 1.473(7) . ?
N2 C7 1.332(8) . ?
N2 C6 1.389(7) . ?
N2 C17 1.484(7) . ?
C14 C15 1.528(9) . ?
C14 C13 1.541(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C23 C22 1.527(9) . ?
C23 C24 1.526(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C21 C22 1.524(8) . ?
C21 C20 1.527(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C3 C2 1.386(8) . ?
C3 C4 1.389(9) . ?
C3 H3 0.9500 . ?
C10 C11 1.530(9) . ?
C10 C9 1.532(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C8 C9 1.532(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C7 H7 0.9500 . ?
C12 C13 1.529(9) . ?
C12 C11 1.527(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C6 C1 1.374(8) . ?
C6 C5 1.426(8) . ?
C1 C2 1.389(8) . ?
C18 C17 1.507(8) . ?
C18 C19 1.530(8) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C5 C4 1.394(9) . ?
C5 H5 0.9500 . ?
C20 C19 1.524(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C4 H4 0.9500 . ?
C15 C16 1.531(9) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 H16A 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C2 H2 0.9500 . ?
C24 C25 1.523(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25C 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25D 0.9800 . ?
 
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
F2 P1 F6 92.0(4) . . ?
F2 P1 F5 179.1(4) . . ?
F6 P1 F5 88.9(4) . . ?
F2 P1 F3 90.2(3) . . ?
F6 P1 F3 177.4(4) . . ?
F5 P1 F3 88.9(4) . . ?
F2 P1 F4 91.3(3) . . ?
F6 P1 F4 90.6(2) . . ?
F5 P1 F4 88.8(3) . . ?
F3 P1 F4 90.7(2) . . ?
F2 P1 F1 88.8(3) . . ?
F6 P1 F1 90.3(2) . . ?
F5 P1 F1 91.1(3) . . ?
F3 P1 F1 88.4(2) . . ?
F4 P1 F1 179.1(3) . . ?
C7 N1 C1 108.5(5) . . ?
C7 N1 C8 125.3(5) . . ?
C1 N1 C8 125.8(5) . . ?
C7 N2 C6 107.0(5) . . ?
C7 N2 C17 125.2(5) . . ?
C6 N2 C17 127.7(5) . . ?
C15 C14 C13 112.0(5) . . ?
C15 C14 H14A 109.2 . . ?
C13 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C22 C23 C24 113.1(5) . . ?
C22 C23 H23A 109.0 . . ?
C24 C23 H23A 109.0 . . ?
C22 C23 H23B 109.0 . . ?
C24 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C22 C21 C20 113.0(5) . . ?
C22 C21 H21A 109.0 . . ?
C20 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C2 C3 C4 123.4(6) . . ?
C2 C3 H3 118.3 . . ?
C4 C3 H3 118.3 . . ?
C11 C10 C9 111.7(5) . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
N1 C8 C9 111.2(5) . . ?
N1 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N1 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N1 C7 N2 110.7(5) . . ?
N1 C7 H7 124.6 . . ?
N2 C7 H7 124.6 . . ?
C13 C12 C11 112.5(5) . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C8 C9 C10 113.9(5) . . ?
C8 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
C8 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C12 C13 C14 113.5(5) . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C1 C6 N2 108.3(5) . . ?
C1 C6 C5 121.6(5) . . ?
N2 C6 C5 130.1(5) . . ?
C6 C1 C2 123.5(6) . . ?
C6 C1 N1 105.5(5) . . ?
C2 C1 N1 130.9(5) . . ?
C17 C18 C19 114.8(5) . . ?
C17 C18 H18A 108.6 . . ?
C19 C18 H18A 108.6 . . ?
C17 C18 H18B 108.6 . . ?
C19 C18 H18B 108.6 . . ?
H18A C18 H18B 107.5 . . ?
C10 C11 C12 114.3(5) . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C4 C5 C6 114.9(5) . . ?
C4 C5 H5 122.6 . . ?
C6 C5 H5 122.6 . . ?
C19 C20 C21 114.7(5) . . ?
C19 C20 H20A 108.6 . . ?
C21 C20 H20A 108.6 . . ?
C19 C20 H20B 108.6 . . ?
C21 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
C20 C19 C18 111.2(5) . . ?
C20 C19 H19A 109.4 . . ?
C18 C19 H19A 109.4 . . ?
C20 C19 H19B 109.4 . . ?
C18 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
C5 C4 C3 121.9(6) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C16 C15 C14 112.4(5) . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
C14 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C21 C22 C23 113.2(5) . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
C23 C22 H22B 108.9 . . ?
H22A C22 H22B 107.8 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
H16B C16 H16A 109.5 . . ?
H16C C16 H16A 109.5 . . ?
N2 C17 C18 112.8(5) . . ?
N2 C17 H17A 109.0 . . ?
C18 C17 H17A 109.0 . . ?
N2 C17 H17B 109.0 . . ?
C18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C3 C2 C1 114.7(6) . . ?
C3 C2 H2 122.7 . . ?
C1 C2 H2 122.7 . . ?
C25 C24 C23 113.2(6) . . ?
C25 C24 H24A 108.9 . . ?
C23 C24 H24A 108.9 . . ?
C25 C24 H24B 108.9 . . ?
C23 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
C24 C25 H25C 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25C C25 H25B 109.5 . . ?
C24 C25 H25D 109.5 . . ?
H25C C25 H25D 109.5 . . ?
H25B C25 H25D 109.5 . . ?
 
_diffrn_measured_fraction_theta_max    0.992
_diffrn_reflns_theta_full              25.03
_diffrn_measured_fraction_theta_full   0.992
_refine_diff_density_max    0.601
_refine_diff_density_min   -0.455
_refine_diff_density_rms    0.088
