 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C12 H17 B F4 N2'
_chemical_formula_weight          276.09
 
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'
 'B'  'B'   0.0013   0.0007
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1
_symmetry_space_group_name_hall   '-P 1'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    10.5701(3)
_cell_length_b                    11.0531(3)
_cell_length_c                    11.7699(3)
_cell_angle_alpha                 88.065(2)
_cell_angle_beta                  89.074(2)
_cell_angle_gamma                 88.757(2)
_cell_volume                      1373.83(6)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     14980
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.55
_exptl_crystal_size_mid           0.45
_exptl_crystal_size_min           0.30
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.335
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              576
_exptl_absorpt_coefficient_mu     0.117
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9387
_exptl_absorpt_correction_T_max   0.9659
_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             26859
_diffrn_reflns_av_R_equivalents   0.0595
_diffrn_reflns_av_sigmaI/netI     0.0404
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_limit_l_max        15
_diffrn_reflns_theta_min          3.11
_diffrn_reflns_theta_max          27.49
_reflns_number_total              6150
_reflns_number_gt                 4495
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        ?
_computing_cell_refinement        'DENZO, COLLECT'
_computing_data_reduction         'DENZO, COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'CAMERON (Watkin, Pearce 1995)'
_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 > 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)+(0.0467P)²+1.1684P] 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        0.021(2)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          6150
_refine_ls_number_parameters      397
_refine_ls_number_restraints      6
_refine_ls_R_factor_all           0.0797
_refine_ls_R_factor_gt            0.0549
_refine_ls_wR_factor_ref          0.1465
_refine_ls_wR_factor_gt           0.1341
_refine_ls_goodness_of_fit_ref    1.057
_refine_ls_restrained_S_all       1.057
_refine_ls_shift/su_max           0.004
_refine_ls_shift/su_mean          0.000
 
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
F3 F 0.2020(4) 0.5159(5) 0.7682(8) 0.056(2) Uani 0.457(15) 1 d P A 1
F3' F 0.2204(4) 0.5768(11) 0.8232(6) 0.084(3) Uani 0.543(15) 1 d P A 1
F4 F 0.0052(8) 0.4961(7) 0.7123(7) 0.079(2) Uani 0.457(15) 1 d P A 2
F4' F 0.0834(13) 0.4740(4) 0.7206(6) 0.109(5) Uani 0.543(15) 1 d P A 2
F6 F 0.3981(5) 0.9589(5) 0.3993(3) 0.0753(17) Uani 0.651(13) 1 d P B 1
F6' F 0.4167(9) 1.0695(8) 0.2607(10) 0.052(2) Uani 0.349(13) 1 d PU B 1
F7 F 0.4302(8) 1.0598(6) 0.2334(8) 0.110(3) Uani 0.651(13) 1 d P B 2
F7' F 0.3676(19) 0.8997(18) 0.200(2) 0.168(8) Uani 0.349(13) 1 d P B 2
F8 F 0.3458(6) 0.8784(5) 0.2347(6) 0.0662(15) Uani 0.651(13) 1 d P B 3
F8' F 0.3692(12) 0.9196(15) 0.3812(14) 0.153(7) Uani 0.349(13) 1 d P B 3
B1 B 0.0928(3) 0.5752(2) 0.7679(3) 0.0403(6) Uani 1 1 d . . .
B2 B 0.4282(2) 0.9492(2) 0.2844(2) 0.0353(6) Uani 1 1 d . . .
C1 C 0.00534(19) 1.12711(18) -0.11897(16) 0.0285(4) Uani 1 1 d . . .
C2 C -0.0641(2) 1.0257(2) -0.14233(18) 0.0333(5) Uani 1 1 d . . .
H2 H -0.1540 1.0283 -0.1440 0.040 Uiso 1 1 calc R . .
C3 C 0.0047(2) 0.9213(2) -0.16283(18) 0.0363(5) Uani 1 1 d . . .
H3 H -0.0390 0.8497 -0.1788 0.044 Uiso 1 1 calc R . .
C4 C 0.1374(2) 0.9176(2) -0.1609(2) 0.0394(5) Uani 1 1 d . . .
H4 H 0.1810 0.8435 -0.1754 0.047 Uiso 1 1 calc R . .
C5 C 0.2062(2) 1.0180(2) -0.13866(19) 0.0349(5) Uani 1 1 d . . .
H5 H 0.2961 1.0156 -0.1379 0.042 Uiso 1 1 calc R . .
C6 C 0.13693(19) 1.12321(18) -0.11738(16) 0.0286(4) Uani 1 1 d . . .
C7 C 0.0718(2) 1.30883(19) -0.08241(18) 0.0317(5) Uani 1 1 d . . .
H7 H 0.0720 1.3924 -0.0661 0.038 Uiso 1 1 calc R . .
C8 C -0.1610(2) 1.2950(2) -0.0927(2) 0.0441(6) Uani 1 1 d . . .
H8A H -0.1979 1.2790 -0.0169 0.066 Uiso 1 1 calc R . .
H8B H -0.2118 1.2563 -0.1496 0.066 Uiso 1 1 calc R . .
H8C H -0.1601 1.3825 -0.1089 0.066 Uiso 1 1 calc R . .
C9 C 0.3060(2) 1.2790(2) -0.08444(19) 0.0352(5) Uani 1 1 d . . .
H9A H 0.3091 1.3677 -0.0988 0.042 Uiso 1 1 calc R . .
H9B H 0.3586 1.2398 -0.1436 0.042 Uiso 1 1 calc R . .
C10 C 0.3611(2) 1.2479(2) 0.0310(2) 0.0376(5) Uani 1 1 d . . .
H10 H 0.3495 1.1595 0.0478 0.045 Uiso 1 1 calc R . .
C11 C 0.5033(2) 1.2718(3) 0.0252(3) 0.0608(8) Uani 1 1 d . . .
H11A H 0.5430 1.2238 -0.0347 0.091 Uiso 1 1 calc R . .
H11B H 0.5412 1.2490 0.0984 0.091 Uiso 1 1 calc R . .
H11C H 0.5166 1.3580 0.0081 0.091 Uiso 1 1 calc R . .
C12 C 0.2965(2) 1.3179(3) 0.1251(2) 0.0502(6) Uani 1 1 d . . .
H12A H 0.3126 1.4044 0.1133 0.075 Uiso 1 1 calc R . .
H12B H 0.3301 1.2897 0.1987 0.075 Uiso 1 1 calc R . .
H12C H 0.2052 1.3047 0.1241 0.075 Uiso 1 1 calc R . .
C13 C 0.46103(18) 0.39439(17) 0.38838(16) 0.0258(4) Uani 1 1 d . . .
C14 C 0.34555(18) 0.40567(17) 0.44597(16) 0.0253(4) Uani 1 1 d . . .
C15 C 0.27326(19) 0.51203(18) 0.43996(18) 0.0302(4) Uani 1 1 d . . .
H15 H 0.1944 0.5199 0.4792 0.036 Uiso 1 1 calc R . .
C16 C 0.3224(2) 0.60575(19) 0.37371(18) 0.0337(5) Uani 1 1 d . . .
H16 H 0.2760 0.6802 0.3674 0.040 Uiso 1 1 calc R . .
C17 C 0.4383(2) 0.59436(19) 0.31567(18) 0.0336(5) Uani 1 1 d . . .
H17 H 0.4683 0.6612 0.2709 0.040 Uiso 1 1 calc R . .
C18 C 0.5105(2) 0.48863(19) 0.32157(18) 0.0307(4) Uani 1 1 d . . .
H18 H 0.5893 0.4808 0.2823 0.037 Uiso 1 1 calc R . .
C19 C 0.42485(19) 0.22282(18) 0.48277(18) 0.0289(4) Uani 1 1 d . . .
H19 H 0.4346 0.1422 0.5124 0.035 Uiso 1 1 calc R . .
C20 C 0.6268(2) 0.2253(2) 0.3713(2) 0.0396(5) Uani 1 1 d . . .
H20A H 0.6482 0.1523 0.4171 0.059 Uiso 1 1 calc R . .
H20B H 0.6942 0.2842 0.3770 0.059 Uiso 1 1 calc R . .
H20C H 0.6177 0.2042 0.2917 0.059 Uiso 1 1 calc R . .
C21 C 0.21627(18) 0.26484(18) 0.57594(17) 0.0269(4) Uani 1 1 d . . .
H21A H 0.1936 0.3340 0.6241 0.032 Uiso 1 1 calc R . .
H21B H 0.2385 0.1947 0.6269 0.032 Uiso 1 1 calc R . .
C22 C 0.10240(18) 0.23393(18) 0.50605(17) 0.0278(4) Uani 1 1 d . . .
H22 H 0.0840 0.3034 0.4518 0.033 Uiso 1 1 calc R . .
C23 C 0.1275(2) 0.1218(2) 0.4381(2) 0.0460(6) Uani 1 1 d . . .
H23A H 0.1516 0.0540 0.4896 0.069 Uiso 1 1 calc R . .
H23B H 0.1963 0.1371 0.3830 0.069 Uiso 1 1 calc R . .
H23C H 0.0507 0.1019 0.3976 0.069 Uiso 1 1 calc R . .
C24 C -0.0116(2) 0.2173(2) 0.5845(2) 0.0381(5) Uani 1 1 d . . .
H24A H -0.0867 0.2037 0.5392 0.057 Uiso 1 1 calc R . .
H24B H -0.0253 0.2901 0.6288 0.057 Uiso 1 1 calc R . .
H24C H 0.0034 0.1473 0.6363 0.057 Uiso 1 1 calc R . .
N1 N -0.03143(17) 1.24572(16) -0.09685(15) 0.0318(4) Uani 1 1 d . . .
N2 N 0.17450(16) 1.24001(15) -0.09372(14) 0.0297(4) Uani 1 1 d . . .
N3 N 0.50730(15) 0.27827(15) 0.41342(15) 0.0287(4) Uani 1 1 d . . .
N4 N 0.32689(15) 0.29606(14) 0.50475(14) 0.0256(4) Uani 1 1 d . . .
F1 F 0.02551(17) 0.58976(14) 0.86675(13) 0.0626(5) Uani 1 1 d . A .
F2 F 0.09100(14) 0.67719(12) 0.69968(12) 0.0472(4) Uani 1 1 d . A .
F5 F 0.54870(14) 0.89820(17) 0.28149(14) 0.0623(5) Uani 1 1 d . B .
 
 
_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
F3 F3' 0.975(7) . ?
F3 B1 1.315(5) . ?
F3' B1 1.508(7) . ?
F4 F4' 0.863(9) . ?
F4 B1 1.464(6) . ?
F4' B1 1.272(6) . ?
F6 B2 1.391(5) . ?
F6' B2 1.352(10) . ?
F7 B2 1.344(7) . ?
F7' B2 1.332(15) . ?
F8 B2 1.338(6) . ?
F8' B2 1.325(9) . ?
B1 F2 1.361(3) . ?
B1 F1 1.367(3) . ?
B2 F5 1.382(3) . ?
C1 C2 1.391(3) . ?
C1 N1 1.391(3) . ?
C1 C6 1.391(3) . ?
C2 C3 1.377(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.403(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.375(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(3) . ?
C5 H5 0.9500 . ?
C6 N2 1.397(3) . ?
C7 N2 1.319(3) . ?
C7 N1 1.324(3) . ?
C7 H7 0.9500 . ?
C8 N1 1.464(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N2 1.471(3) . ?
C9 C10 1.513(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12 1.517(3) . ?
C10 C11 1.532(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N3 1.388(3) . ?
C13 C18 1.390(3) . ?
C13 C14 1.392(3) . ?
C14 C15 1.389(3) . ?
C14 N4 1.391(2) . ?
C15 C16 1.381(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.399(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 N4 1.328(3) . ?
C19 N3 1.330(3) . ?
C19 H19 0.9500 . ?
C20 N3 1.466(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N4 1.468(2) . ?
C21 C22 1.520(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.513(3) . ?
C22 C24 1.517(3) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
F3' F3 B1 80.9(5) . . ?
F3 F3' B1 59.5(4) . . ?
F4' F4 B1 59.8(6) . . ?
F4 F4' B1 84.2(6) . . ?
F4' B1 F3 69.3(5) . . ?
F4' B1 F2 117.6(4) . . ?
F3 B1 F2 114.2(3) . . ?
F4' B1 F1 116.7(3) . . ?
F3 B1 F1 120.5(4) . . ?
F2 B1 F1 112.37(19) . . ?
F4' B1 F4 35.9(4) . . ?
F3 B1 F4 105.2(4) . . ?
F2 B1 F4 103.2(3) . . ?
F1 B1 F4 98.1(5) . . ?
F4' B1 F3' 107.8(5) . . ?
F3 B1 F3' 39.7(2) . . ?
F2 B1 F3' 103.8(4) . . ?
F1 B1 F3' 94.8(3) . . ?
F4 B1 F3' 142.9(4) . . ?
F8' B2 F8 86.2(11) . . ?
F8' B2 F7' 108.4(11) . . ?
F8 B2 F7' 22.5(14) . . ?
F8' B2 F6' 110.9(8) . . ?
F8 B2 F6' 116.6(6) . . ?
F7' B2 F6' 103.7(11) . . ?
F8' B2 F7 126.3(6) . . ?
F8 B2 F7 111.1(4) . . ?
F7' B2 F7 94.0(11) . . ?
F6' B2 F7 15.7(7) . . ?
F8' B2 F5 110.7(5) . . ?
F8 B2 F5 110.8(4) . . ?
F7' B2 F5 105.1(9) . . ?
F6' B2 F5 117.3(4) . . ?
F7 B2 F5 109.2(4) . . ?
F8' B2 F6 24.7(9) . . ?
F8 B2 F6 110.3(4) . . ?
F7' B2 F6 131.9(13) . . ?
F6' B2 F6 94.5(5) . . ?
F7 B2 F6 110.0(5) . . ?
F5 B2 F6 105.1(3) . . ?
C2 C1 N1 131.8(2) . . ?
C2 C1 C6 121.75(19) . . ?
N1 C1 C6 106.39(17) . . ?
C3 C2 C1 116.2(2) . . ?
C3 C2 H2 121.9 . . ?
C1 C2 H2 121.9 . . ?
C2 C3 C4 121.9(2) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C5 C4 C3 122.0(2) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C4 C5 C6 116.2(2) . . ?
C4 C5 H5 121.9 . . ?
C6 C5 H5 121.9 . . ?
C5 C6 C1 121.99(19) . . ?
C5 C6 N2 131.65(19) . . ?
C1 C6 N2 106.36(17) . . ?
N2 C7 N1 110.89(18) . . ?
N2 C7 H7 124.6 . . ?
N1 C7 H7 124.6 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C10 112.58(18) . . ?
N2 C9 H9A 109.1 . . ?
C10 C9 H9A 109.1 . . ?
N2 C9 H9B 109.1 . . ?
C10 C9 H9B 109.1 . . ?
H9A C9 H9B 107.8 . . ?
C9 C10 C12 112.4(2) . . ?
C9 C10 C11 108.3(2) . . ?
C12 C10 C11 111.2(2) . . ?
C9 C10 H10 108.3 . . ?
C12 C10 H10 108.3 . . ?
C11 C10 H10 108.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C18 131.41(18) . . ?
N3 C13 C14 106.56(17) . . ?
C18 C13 C14 122.02(19) . . ?
C15 C14 N4 131.72(18) . . ?
C15 C14 C13 121.78(18) . . ?
N4 C14 C13 106.49(17) . . ?
C16 C15 C14 116.25(19) . . ?
C16 C15 H15 121.9 . . ?
C14 C15 H15 121.9 . . ?
C15 C16 C17 122.0(2) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C18 C17 C16 121.9(2) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C13 116.08(19) . . ?
C17 C18 H18 122.0 . . ?
C13 C18 H18 122.0 . . ?
N4 C19 N3 110.40(18) . . ?
N4 C19 H19 124.8 . . ?
N3 C19 H19 124.8 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 C22 112.47(16) . . ?
N4 C21 H21A 109.1 . . ?
C22 C21 H21A 109.1 . . ?
N4 C21 H21B 109.1 . . ?
C22 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C23 C22 C24 110.74(18) . . ?
C23 C22 C21 111.64(18) . . ?
C24 C22 C21 109.24(17) . . ?
C23 C22 H22 108.4 . . ?
C24 C22 H22 108.4 . . ?
C21 C22 H22 108.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C7 N1 C1 108.24(17) . . ?
C7 N1 C8 125.08(19) . . ?
C1 N1 C8 126.66(18) . . ?
C7 N2 C6 108.12(17) . . ?
C7 N2 C9 126.25(18) . . ?
C6 N2 C9 125.63(18) . . ?
C19 N3 C13 108.31(16) . . ?
C19 N3 C20 125.59(18) . . ?
C13 N3 C20 126.10(18) . . ?
C19 N4 C14 108.23(16) . . ?
C19 N4 C21 125.66(17) . . ?
C14 N4 C21 126.09(16) . . ?
 
_diffrn_measured_fraction_theta_max    0.974
_diffrn_reflns_theta_full              27.49
_diffrn_measured_fraction_theta_full   0.974
_refine_diff_density_max    0.387
_refine_diff_density_min   -0.309
_refine_diff_density_rms    0.050
