#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305099.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4305099
loop_
_publ_author_name
'Kevin A. Kreisel'
'Glenn P. A. Yap'
'Klaus H. Theopold'
_publ_section_title
;
Synthesis, Characterization, and Electronic Structure of Diimine Complexes
of Chromium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5293
_journal_page_last               5303
_journal_paper_doi               10.1021/ic800302w
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C30 H36 Cr N2 O4'
_chemical_formula_weight         540.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.339(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.908(3)
_cell_length_b                   13.495(4)
_cell_length_c                   20.150(6)
_cell_measurement_reflns_used    1002
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.94
_cell_measurement_theta_min      2.42
_cell_volume                     2918.0(15)
_computing_cell_refinement       'SHELXTL, Sheldrick (2001)'
_computing_data_collection       'SMART, Bruker (2002)'
_computing_data_reduction        'SHELXTL, Sheldrick (2001)'
_computing_molecular_graphics    'SHELXTL, Sheldrick (2001)'
_computing_publication_material  'SHELXTL, Sheldrick (2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.809
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12818
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        1
_exptl_absorpt_coefficient_mu    0.427
_exptl_absorpt_correction_T_max  0.9119
_exptl_absorpt_correction_T_min  0.8861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick (2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         5856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0557P)²+0.9320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                4684
_reflns_number_total             5856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800302w-file001_8.cif
_cod_data_source_block           klat068
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2918.0(14)
_cod_database_code               4305099
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'
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
Cr Cr 1.03301(3) 0.09249(3) 0.231623(15) 0.01605(11) Uani 1 1 d . . .
N1 N 1.03794(13) 0.02122(13) 0.32196(8) 0.0146(4) Uani 1 1 d . . .
N2 N 0.89778(13) -0.01407(13) 0.21096(8) 0.0153(4) Uani 1 1 d . . .
O1 O 0.87314(14) 0.27000(13) 0.25139(8) 0.0325(4) Uani 1 1 d . . .
O2 O 1.24592(14) 0.22904(13) 0.28608(8) 0.0373(4) Uani 1 1 d . . .
O3 O 1.24311(15) -0.00586(15) 0.17490(9) 0.0446(5) Uani 1 1 d . . .
O4 O 0.97189(17) 0.17934(15) 0.09196(8) 0.0467(5) Uani 1 1 d . . .
C1 C 1.10089(18) 0.11625(16) 0.42669(10) 0.0199(5) Uani 1 1 d . . .
C2 C 1.1915(2) 0.13625(19) 0.48349(11) 0.0286(5) Uani 1 1 d . . .
H2 H 1.1775 0.1877 0.5134 0.034 Uiso 1 1 calc R . .
C3 C 1.3008(2) 0.0827(2) 0.49690(12) 0.0348(6) Uani 1 1 d . . .
H3 H 1.3609 0.0970 0.5360 0.042 Uiso 1 1 calc R . .
C4 C 1.32274(19) 0.00839(19) 0.45354(11) 0.0297(6) Uani 1 1 d . . .
H4 H 1.3982 -0.0282 0.4633 0.036 Uiso 1 1 calc R . .
C5 C 1.23702(17) -0.01399(17) 0.39592(10) 0.0202(5) Uani 1 1 d . . .
C6 C 1.12605(16) 0.04122(16) 0.38335(9) 0.0164(4) Uani 1 1 d . . .
C7 C 0.98044(19) 0.17434(17) 0.41551(10) 0.0233(5) Uani 1 1 d . . .
H7 H 0.9288 0.1516 0.3721 0.028 Uiso 1 1 calc R . .
C8 C 1.0043(2) 0.28515(19) 0.40957(13) 0.0379(6) Uani 1 1 d . . .
H8A H 1.0504 0.3100 0.4526 0.057 Uiso 1 1 calc R . .
H8B H 0.9246 0.3201 0.3983 0.057 Uiso 1 1 calc R . .
H8C H 1.0533 0.2965 0.3740 0.057 Uiso 1 1 calc R . .
C9 C 0.9075(2) 0.1540(2) 0.47184(12) 0.0384(6) Uani 1 1 d . . .
H9A H 0.8891 0.0830 0.4732 0.058 Uiso 1 1 calc R . .
H9B H 0.8293 0.1915 0.4635 0.058 Uiso 1 1 calc R . .
H9C H 0.9571 0.1744 0.5151 0.058 Uiso 1 1 calc R . .
C10 C 1.26388(18) -0.09731(17) 0.34999(11) 0.0224(5) Uani 1 1 d . . .
H10 H 1.2006 -0.0936 0.3075 0.027 Uiso 1 1 calc R . .
C11 C 1.39322(19) -0.0861(2) 0.33101(12) 0.0323(6) Uani 1 1 d . . .
H11A H 1.4025 -0.0189 0.3142 0.048 Uiso 1 1 calc R . .
H11B H 1.4024 -0.1342 0.2958 0.048 Uiso 1 1 calc R . .
H11C H 1.4574 -0.0981 0.3709 0.048 Uiso 1 1 calc R . .
C12 C 1.2495(2) -0.19765(18) 0.38275(12) 0.0331(6) Uani 1 1 d . . .
H12A H 1.3093 -0.2026 0.4252 0.050 Uiso 1 1 calc R . .
H12B H 1.2655 -0.2507 0.3522 0.050 Uiso 1 1 calc R . .
H12C H 1.1646 -0.2041 0.3919 0.050 Uiso 1 1 calc R . .
C13 C 0.95637(16) -0.04827(16) 0.32386(10) 0.0168(4) Uani 1 1 d . . .
H13 H 0.9501 -0.0831 0.3641 0.020 Uiso 1 1 calc R . .
C14 C 0.87644(17) -0.06847(16) 0.26074(10) 0.0185(4) Uani 1 1 d . . .
H14 H 0.8131 -0.1176 0.2558 0.022 Uiso 1 1 calc R . .
C15 C 0.87367(17) -0.09704(16) 0.10109(10) 0.0202(5) Uani 1 1 d . . .
C16 C 0.81233(19) -0.10116(18) 0.03403(11) 0.0261(5) Uani 1 1 d . . .
H16 H 0.8429 -0.1442 0.0034 0.031 Uiso 1 1 calc R . .
C17 C 0.70807(19) -0.04399(18) 0.01120(10) 0.0262(5) Uani 1 1 d . . .
H17 H 0.6694 -0.0464 -0.0349 0.031 Uiso 1 1 calc R . .
C18 C 0.66028(18) 0.01641(17) 0.05550(10) 0.0220(5) Uani 1 1 d . . .
H18 H 0.5866 0.0533 0.0398 0.026 Uiso 1 1 calc R . .
C19 C 0.71775(16) 0.02450(16) 0.12265(10) 0.0175(4) Uani 1 1 d . . .
C20 C 0.82666(16) -0.03107(16) 0.14413(9) 0.0171(4) Uani 1 1 d . . .
C21 C 0.98370(19) -0.16470(18) 0.12538(11) 0.0256(5) Uani 1 1 d . . .
H21 H 1.0304 -0.1370 0.1687 0.031 Uiso 1 1 calc R . .
C22 C 0.9368(3) -0.2681(2) 0.14023(16) 0.0501(8) Uani 1 1 d . . .
H22A H 0.8796 -0.2625 0.1724 0.075 Uiso 1 1 calc R . .
H22B H 1.0078 -0.3099 0.1595 0.075 Uiso 1 1 calc R . .
H22C H 0.8930 -0.2980 0.0983 0.075 Uiso 1 1 calc R . .
C23 C 1.0736(2) -0.1711(3) 0.07593(12) 0.0485(8) Uani 1 1 d . . .
H23A H 1.0340 -0.2072 0.0355 0.073 Uiso 1 1 calc R . .
H23B H 1.1492 -0.2061 0.0971 0.073 Uiso 1 1 calc R . .
H23C H 1.0954 -0.1041 0.0633 0.073 Uiso 1 1 calc R . .
C24 C 0.65989(17) 0.08782(16) 0.17121(10) 0.0202(5) Uani 1 1 d . . .
H24 H 0.7245 0.0980 0.2126 0.024 Uiso 1 1 calc R . .
C25 C 0.6194(2) 0.18957(18) 0.14279(12) 0.0327(6) Uani 1 1 d . . .
H25A H 0.6909 0.2237 0.1298 0.049 Uiso 1 1 calc R . .
H25B H 0.5879 0.2286 0.1772 0.049 Uiso 1 1 calc R . .
H25C H 0.5535 0.1820 0.1031 0.049 Uiso 1 1 calc R . .
C26 C 0.5501(2) 0.03344(19) 0.19242(12) 0.0328(6) Uani 1 1 d . . .
H26A H 0.4860 0.0208 0.1526 0.049 Uiso 1 1 calc R . .
H26B H 0.5149 0.0743 0.2246 0.049 Uiso 1 1 calc R . .
H26C H 0.5789 -0.0297 0.2137 0.049 Uiso 1 1 calc R . .
C27 C 0.92964(18) 0.19925(18) 0.24722(10) 0.0213(5) Uani 1 1 d . . .
C28 C 1.16405(19) 0.17720(18) 0.26571(10) 0.0243(5) Uani 1 1 d . . .
C29 C 1.16217(19) 0.02359(18) 0.19801(11) 0.0271(5) Uani 1 1 d . . .
C30 C 0.99741(19) 0.14488(18) 0.14466(11) 0.0276(5) Uani 1 1 d . . .
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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C28 Cr C30 97.49(9) . . ?
C28 Cr C27 84.96(10) . . ?
C30 Cr C27 80.65(10) . . ?
C28 Cr C29 82.16(10) . . ?
C30 Cr C29 83.90(10) . . ?
C27 Cr C29 158.39(10) . . ?
C28 Cr N2 169.33(8) . . ?
C30 Cr N2 93.11(8) . . ?
C27 Cr N2 98.02(8) . . ?
C29 Cr N2 97.83(8) . . ?
C28 Cr N1 93.70(8) . . ?
C30 Cr N1 168.44(8) . . ?
C27 Cr N1 97.54(8) . . ?
C29 Cr N1 100.54(8) . . ?
N2 Cr N1 75.78(6) . . ?
C13 N1 C6 117.55(16) . . ?
C13 N1 Cr 117.13(13) . . ?
C6 N1 Cr 125.31(13) . . ?
C14 N2 C20 119.29(16) . . ?
C14 N2 Cr 117.57(13) . . ?
C20 N2 Cr 123.14(13) . . ?
C6 C1 C2 117.56(19) . . ?
C6 C1 C7 123.10(18) . . ?
C2 C1 C7 119.33(19) . . ?
C3 C2 C1 121.3(2) . . ?
C2 C3 C4 120.0(2) . . ?
C3 C4 C5 121.4(2) . . ?
C4 C5 C6 117.70(19) . . ?
C4 C5 C10 119.78(18) . . ?
C6 C5 C10 122.50(18) . . ?
C1 C6 C5 122.11(18) . . ?
C1 C6 N1 119.62(17) . . ?
C5 C6 N1 118.24(17) . . ?
C1 C7 C9 110.60(18) . . ?
C1 C7 C8 111.33(19) . . ?
C9 C7 C8 110.8(2) . . ?
C5 C10 C12 110.34(18) . . ?
C5 C10 C11 111.47(18) . . ?
C12 C10 C11 111.42(19) . . ?
N1 C13 C14 114.98(18) . . ?
N2 C14 C13 114.42(18) . . ?
C16 C15 C20 117.29(19) . . ?
C16 C15 C21 120.12(19) . . ?
C20 C15 C21 122.56(18) . . ?
C17 C16 C15 121.5(2) . . ?
C18 C17 C16 119.91(19) . . ?
C17 C18 C19 121.33(19) . . ?
C18 C19 C20 117.81(19) . . ?
C18 C19 C24 120.29(18) . . ?
C20 C19 C24 121.84(17) . . ?
C15 C20 C19 122.05(18) . . ?
C15 C20 N2 118.79(17) . . ?
C19 C20 N2 118.98(18) . . ?
C15 C21 C23 112.86(19) . . ?
C15 C21 C22 109.75(18) . . ?
C23 C21 C22 110.7(2) . . ?
C19 C24 C25 113.02(18) . . ?
C19 C24 C26 110.29(18) . . ?
C25 C24 C26 110.44(18) . . ?
O1 C27 Cr 172.07(18) . . ?
O2 C28 Cr 179.0(2) . . ?
O3 C29 Cr 171.1(2) . . ?
O4 C30 Cr 177.3(2) . . ?
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
Cr C28 1.863(2) . ?
Cr C30 1.865(2) . ?
Cr C27 1.890(2) . ?
Cr C29 1.911(2) . ?
Cr N2 2.0487(17) . ?
Cr N1 2.0509(17) . ?
N1 C13 1.298(3) . ?
N1 C6 1.449(2) . ?
N2 C14 1.297(3) . ?
N2 C20 1.447(2) . ?
O1 C27 1.148(3) . ?
O2 C28 1.151(3) . ?
O3 C29 1.141(3) . ?
O4 C30 1.147(3) . ?
C1 C6 1.396(3) . ?
C1 C2 1.398(3) . ?
C1 C7 1.512(3) . ?
C2 C3 1.379(3) . ?
C3 C4 1.379(3) . ?
C4 C5 1.387(3) . ?
C5 C6 1.405(3) . ?
C5 C10 1.518(3) . ?
C7 C9 1.523(3) . ?
C7 C8 1.526(3) . ?
C10 C12 1.527(3) . ?
C10 C11 1.534(3) . ?
C13 C14 1.433(3) . ?
C15 C16 1.397(3) . ?
C15 C20 1.403(3) . ?
C15 C21 1.518(3) . ?
C16 C17 1.383(3) . ?
C17 C18 1.378(3) . ?
C18 C19 1.390(3) . ?
C19 C20 1.406(3) . ?
C19 C24 1.519(3) . ?
C21 C23 1.521(3) . ?
C21 C22 1.534(4) . ?
C24 C25 1.522(3) . ?
C24 C26 1.530(3) . ?
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
C28 Cr N1 C13 178.86(15) . . . . ?
C30 Cr N1 C13 13.3(5) . . . . ?
C27 Cr N1 C13 93.47(15) . . . . ?
C29 Cr N1 C13 -98.44(15) . . . . ?
N2 Cr N1 C13 -2.94(14) . . . . ?
C28 Cr N1 C6 -2.08(16) . . . . ?
C30 Cr N1 C6 -167.6(4) . . . . ?
C27 Cr N1 C6 -87.48(16) . . . . ?
C29 Cr N1 C6 80.62(16) . . . . ?
N2 Cr N1 C6 176.11(16) . . . . ?
C28 Cr N2 C14 12.8(5) . . . . ?
C30 Cr N2 C14 -173.79(15) . . . . ?
C27 Cr N2 C14 -92.81(15) . . . . ?
C29 Cr N2 C14 101.94(15) . . . . ?
N1 Cr N2 C14 2.99(14) . . . . ?
C28 Cr N2 C20 -167.0(4) . . . . ?
C30 Cr N2 C20 6.46(16) . . . . ?
C27 Cr N2 C20 87.45(15) . . . . ?
C29 Cr N2 C20 -77.81(16) . . . . ?
N1 Cr N2 C20 -176.76(16) . . . . ?
C6 C1 C2 C3 -1.1(3) . . . . ?
C7 C1 C2 C3 177.7(2) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C2 C3 C4 C5 0.3(4) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C3 C4 C5 C10 -179.1(2) . . . . ?
C2 C1 C6 C5 0.9(3) . . . . ?
C7 C1 C6 C5 -177.89(19) . . . . ?
C2 C1 C6 N1 -176.77(19) . . . . ?
C7 C1 C6 N1 4.5(3) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C10 C5 C6 C1 178.52(19) . . . . ?
C4 C5 C6 N1 177.60(19) . . . . ?
C10 C5 C6 N1 -3.8(3) . . . . ?
C13 N1 C6 C1 -94.8(2) . . . . ?
Cr N1 C6 C1 86.2(2) . . . . ?
C13 N1 C6 C5 87.5(2) . . . . ?
Cr N1 C6 C5 -91.6(2) . . . . ?
C6 C1 C7 C9 114.9(2) . . . . ?
C2 C1 C7 C9 -63.8(3) . . . . ?
C6 C1 C7 C8 -121.5(2) . . . . ?
C2 C1 C7 C8 59.8(3) . . . . ?
C4 C5 C10 C12 73.2(3) . . . . ?
C6 C5 C10 C12 -105.4(2) . . . . ?
C4 C5 C10 C11 -51.2(3) . . . . ?
C6 C5 C10 C11 130.3(2) . . . . ?
C6 N1 C13 C14 -176.59(16) . . . . ?
Cr N1 C13 C14 2.5(2) . . . . ?
C20 N2 C14 C13 177.14(17) . . . . ?
Cr N2 C14 C13 -2.6(2) . . . . ?
N1 C13 C14 N2 0.0(3) . . . . ?
C20 C15 C16 C17 -1.2(3) . . . . ?
C21 C15 C16 C17 176.8(2) . . . . ?
C15 C16 C17 C18 -2.1(3) . . . . ?
C16 C17 C18 C19 2.7(3) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C17 C18 C19 C24 -177.13(19) . . . . ?
C16 C15 C20 C19 4.0(3) . . . . ?
C21 C15 C20 C19 -173.93(19) . . . . ?
C16 C15 C20 N2 -171.09(19) . . . . ?
C21 C15 C20 N2 11.0(3) . . . . ?
C18 C19 C20 C15 -3.4(3) . . . . ?
C24 C19 C20 C15 173.66(18) . . . . ?
C18 C19 C20 N2 171.65(18) . . . . ?
C24 C19 C20 N2 -11.3(3) . . . . ?
C14 N2 C20 C15 -91.5(2) . . . . ?
Cr N2 C20 C15 88.3(2) . . . . ?
C14 N2 C20 C19 93.3(2) . . . . ?
Cr N2 C20 C19 -86.96(19) . . . . ?
C16 C15 C21 C23 43.5(3) . . . . ?
C20 C15 C21 C23 -138.6(2) . . . . ?
C16 C15 C21 C22 -80.4(3) . . . . ?
C20 C15 C21 C22 97.5(2) . . . . ?
C18 C19 C24 C25 -47.0(3) . . . . ?
C20 C19 C24 C25 136.0(2) . . . . ?
C18 C19 C24 C26 77.2(2) . . . . ?
C20 C19 C24 C26 -99.8(2) . . . . ?
