#------------------------------------------------------------------------------
#$Date: 2020-12-19 00:08:45 +0200 (Sat, 19 Dec 2020) $
#$Revision: 259951 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/83/4518325.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_4518325
loop_
_publ_author_name
'Zhang, Dongwei'
'Yokomori, So'
'Kameyama, Ryohei'
'Zhao, Changbin'
'Ueda, Akira'
'Zhang, Lei'
'Kumai, Reiji'
'Murakami, Youichi'
'Meng, Hong'
'Mori, Hatsumi'
_publ_section_title
;
 Effect of Alkyl Chain Length on Charge Transport Property of
 Anthracene-Based Organic Semiconductors.
;
_journal_name_full               'ACS applied materials & interfaces'
_journal_paper_doi               10.1021/acsami.0c16144
_journal_year                    2020
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C32 H30'
_chemical_formula_sum            'C32 H30'
_chemical_formula_weight         414.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 166.2416(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   24.9856(10)
_cell_length_b                   7.5306(3)
_cell_length_c                   24.9215(10)
_cell_measurement_reflns_used    5722
_cell_measurement_temperature    150
_cell_measurement_theta_max      45.27
_cell_measurement_theta_min      3.96
_cell_volume                     1115.21(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.807
_diffrn_measured_fraction_theta_max 0.709
_diffrn_measurement_device_type  'Rigaku IPDSC'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.99516
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.807
_diffrn_reflns_Laue_measured_fraction_max 0.709
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            5959
_diffrn_reflns_point_group_measured_fraction_full 0.644
_diffrn_reflns_point_group_measured_fraction_max 0.516
_diffrn_reflns_theta_full        36.662
_diffrn_reflns_theta_max         45.294
_diffrn_reflns_theta_min         3.960
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Film
_exptl_crystal_F_000             444.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.22
_refine_ls_abs_structure_details
;
 Flack x determined using 695 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -6.4(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3520
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1064P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1380
_refine_ls_wR_factor_ref         0.1429
_reflns_Friedel_coverage         0.359
_reflns_Friedel_fraction_full    0.451
_reflns_Friedel_fraction_max     0.293
_reflns_number_gt                2776
_reflns_number_total             3520
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            am0c16144_si_002.cif
_cod_data_source_block           sample7_150K
_cod_database_code               4518325
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,-Z
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9927(5) 0.6037(3) 0.8499(5) 0.0227(5) Uani 1 1 d . . . . .
H1 H 1.091306 0.637838 0.918768 0.027 Uiso 1 1 calc R U . . .
C2 C 1.0550(5) 0.6237(4) 0.9623(5) 0.0245(5) Uani 1 1 d . . . . .
H2 H 1.196713 0.668814 1.108409 0.029 Uiso 1 1 calc R U . . .
C3 C 0.9042(5) 0.5760(3) 0.8584(5) 0.0210(5) Uani 1 1 d . . . . .
C4 C 0.9589(5) 0.6067(4) 0.9651(5) 0.0239(5) Uani 1 1 d . . . . .
H4 H 1.096099 0.658714 1.107362 0.029 Uiso 1 1 calc R U . . .
C5 C 0.8065(5) 0.5592(3) 0.8581(5) 0.0204(5) Uani 1 1 d . . . . .
C6 C 0.8629(5) 0.5828(3) 0.9675(5) 0.0238(5) Uani 1 1 d . . . . .
H6 H 0.999000 0.636241 1.108970 0.029 Uiso 1 1 calc R U . . .
C7 C 0.7191(5) 0.5279(3) 0.8683(5) 0.0199(5) Uani 1 1 d . . . . .
C8 C 0.5051(5) 0.4570(3) 0.6460(5) 0.0247(5) Uani 1 1 d . . . . .
H8 H 0.404499 0.426149 0.575065 0.030 Uiso 1 1 calc R U . . .
C9 C 0.4462(5) 0.4338(3) 0.5372(5) 0.0214(5) Uani 1 1 d . . . . .
H9 H 0.305539 0.386559 0.392232 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5971(5) 0.4807(3) 0.6409(5) 0.0202(5) Uani 1 1 d . . . . .
C11 C 0.5444(5) 0.4514(3) 0.5366(5) 0.0200(5) Uani 1 1 d . . . . .
H11 H 0.406719 0.400211 0.393891 0.024 Uiso 1 1 calc R U . . .
C12 C 0.6949(5) 0.4975(3) 0.6416(5) 0.0208(5) Uani 1 1 d . . . . .
C13 C 0.6388(5) 0.4766(3) 0.5326(5) 0.0208(5) Uani 1 1 d . . . . .
H13 H 0.502184 0.424012 0.390634 0.025 Uiso 1 1 calc R U . . .
C14 C 0.7808(5) 0.5320(3) 0.6297(5) 0.0217(5) Uani 1 1 d . . . . .
C15 C 0.7894(5) 0.5362(3) 0.9935(5) 0.0220(5) Uani 1 1 d . . . . .
C16 C 0.9833(5) 0.6253(4) 1.1979(5) 0.0263(5) Uani 1 1 d . . . . .
H16 H 1.069446 0.683541 1.256026 0.032 Uiso 1 1 calc R U . . .
C17 C 1.0492(5) 0.6287(4) 1.3144(5) 0.0286(5) Uani 1 1 d . . . . .
H17 H 1.181014 0.687692 1.452062 0.034 Uiso 1 1 calc R U . . .
C18 C 0.9217(5) 0.5448(4) 1.2305(5) 0.0269(5) Uani 1 1 d . . . . .
C19 C 0.7290(5) 0.4586(4) 1.0280(5) 0.0305(5) Uani 1 1 d . . . . .
H19 H 0.641740 0.403184 0.969079 0.037 Uiso 1 1 calc R U . . .
C20 C 0.6621(5) 0.4524(4) 0.9102(5) 0.0268(5) Uani 1 1 d . . . . .
H20 H 0.530975 0.392097 0.773375 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7099(5) 0.5271(3) 0.5040(5) 0.0225(5) Uani 1 1 d . . . . .
C22 C 0.8313(5) 0.6160(4) 0.5819(5) 0.0307(6) Uani 1 1 d . . . . .
H22 H 0.963396 0.675115 0.719547 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7591(5) 0.6174(4) 0.4593(5) 0.0317(6) Uani 1 1 d . . . . .
H23 H 0.842594 0.677875 0.514856 0.038 Uiso 1 1 calc R U . . .
C24 C 0.5652(5) 0.5307(4) 0.2556(5) 0.0288(5) Uani 1 1 d . . . . .
C25 C 0.4446(5) 0.4410(4) 0.1782(5) 0.0289(6) Uani 1 1 d . . . . .
H25 H 0.312756 0.381739 0.040673 0.035 Uiso 1 1 calc R U . . .
C26 C 0.5161(5) 0.4386(4) 0.2998(5) 0.0276(5) Uani 1 1 d . . . . .
H26 H 0.433354 0.376487 0.244751 0.033 Uiso 1 1 calc R U . . .
C27 C 1.0058(6) 0.5564(4) 1.3691(6) 0.0370(6) Uani 1 1 d . . . . .
H27A H 0.997513 0.679459 1.372312 0.044 Uiso 1 1 calc R U . . .
H27B H 1.163290 0.522560 1.522707 0.044 Uiso 1 1 calc R U . . .
C28 C 0.8830(5) 0.4436(4) 1.2910(5) 0.0385(5) Uani 1 1 d . . . . .
H28A H 0.728923 0.484606 1.144397 0.046 Uiso 1 1 calc R U . . .
H28B H 0.879600 0.320934 1.275869 0.046 Uiso 1 1 calc R U . . .
C29 C 0.9985(6) 0.4549(5) 1.4574(6) 0.0542(8) Uani 1 1 d . . . . .
H29A H 0.993900 0.575144 1.465562 0.065 Uiso 1 1 calc R U . . .
H29B H 1.152314 0.417685 1.603505 0.065 Uiso 1 1 calc R U . . .
H29C H 0.922846 0.378922 1.408790 0.065 Uiso 1 1 calc R U . . .
C30 C 0.4811(6) 0.5358(4) 0.1175(6) 0.0348(6) Uani 1 1 d . . . . .
H30A H 0.544400 0.639160 0.161483 0.042 Uiso 1 1 calc R U . . .
H30B H 0.319030 0.550752 -0.039527 0.042 Uiso 1 1 calc R U . . .
C31 C 0.5354(6) 0.3741(4) 0.1373(6) 0.0515(6) Uani 1 1 d . . . . .
H31A H 0.697342 0.363772 0.291337 0.062 Uiso 1 1 calc R U . . .
H31B H 0.481419 0.269048 0.103225 0.062 Uiso 1 1 calc R U . . .
C32 C 0.4310(6) 0.3822(5) -0.0190(6) 0.0598(7) Uani 1 1 d . . . . .
H32A H 0.488524 0.483463 0.018039 0.072 Uiso 1 1 calc R U . . .
H32B H 0.270635 0.392523 -0.171722 0.072 Uiso 1 1 calc R U . . .
H32C H 0.466991 0.275990 -0.003421 0.072 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 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
C2 C1 C14 121.2(2) . . ?
C2 C1 H1 119.4 . . ?
C14 C1 H1 119.4 . . ?
C1 C2 C3 120.8(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C12 119.7(2) . . ?
C4 C3 C2 121.6(3) . . ?
C12 C3 C2 118.7(2) . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C10 119.1(2) . . ?
C6 C5 C4 121.2(3) . . ?
C10 C5 C4 119.7(2) . . ?
C7 C6 C5 121.4(3) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C8 118.9(2) . . ?
C6 C7 C15 120.9(3) . . ?
C8 C7 C15 120.2(2) . . ?
C9 C8 C7 121.0(2) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 121.3(3) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C5 119.4(2) . . ?
C11 C10 C9 122.4(3) . . ?
C5 C10 C9 118.2(2) . . ?
C10 C11 C12 121.5(3) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C13 C12 C11 122.1(3) . . ?
C13 C12 C3 118.5(2) . . ?
C11 C12 C3 119.4(2) . . ?
C14 C13 C12 122.2(3) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C13 C14 C1 118.5(2) . . ?
C13 C14 C21 121.7(3) . . ?
C1 C14 C21 119.8(2) . . ?
C16 C15 C20 117.5(2) . . ?
C16 C15 C7 121.5(2) . . ?
C20 C15 C7 121.1(3) . . ?
C17 C16 C15 120.9(2) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 121.3(3) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C19 C18 C17 118.1(2) . . ?
C19 C18 C27 124.1(3) . . ?
C17 C18 C27 117.8(3) . . ?
C18 C19 C20 121.2(2) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C15 121.0(3) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
C26 C21 C22 117.2(2) . . ?
C26 C21 C14 121.0(2) . . ?
C22 C21 C14 121.7(2) . . ?
C23 C22 C21 121.5(3) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C25 117.7(3) . . ?
C23 C24 C30 121.6(3) . . ?
C25 C24 C30 120.7(3) . . ?
C26 C25 C24 121.6(3) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C21 121.1(2) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C18 C27 C28 116.6(3) . . ?
C18 C27 H27A 108.1 . . ?
C28 C27 H27A 108.1 . . ?
C18 C27 H27B 108.1 . . ?
C28 C27 H27B 108.1 . . ?
H27A C27 H27B 107.3 . . ?
C29 C28 C27 110.7(3) . . ?
C29 C28 H28A 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C24 C30 C31 115.0(3) . . ?
C24 C30 H30A 108.5 . . ?
C31 C30 H30A 108.5 . . ?
C24 C30 H30B 108.5 . . ?
C31 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C32 C31 C30 112.1(3) . . ?
C32 C31 H31A 109.2 . . ?
C30 C31 H31A 109.2 . . ?
C32 C31 H31B 109.2 . . ?
C30 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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 C2 1.353(3) . ?
C1 C14 1.413(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.440(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(4) . ?
C3 C12 1.415(4) . ?
C4 C5 1.419(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(3) . ?
C5 C10 1.417(3) . ?
C6 C7 1.390(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.422(4) . ?
C7 C15 1.477(3) . ?
C8 C9 1.340(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.446(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(3) . ?
C11 C12 1.412(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.405(4) . ?
C13 C14 1.390(3) . ?
C13 H13 0.9300 . ?
C14 C21 1.475(3) . ?
C15 C16 1.388(4) . ?
C15 C20 1.412(3) . ?
C16 C17 1.363(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.407(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.367(4) . ?
C18 C27 1.501(4) . ?
C19 C20 1.373(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C26 1.385(4) . ?
C21 C22 1.406(3) . ?
C22 C23 1.373(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.402(4) . ?
C24 C30 1.486(4) . ?
C25 C26 1.364(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.524(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.509(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.506(4) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.497(4) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
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
C14 C1 C2 C3 -1.4(4) . . . . ?
C1 C2 C3 C4 -175.6(2) . . . . ?
C1 C2 C3 C12 3.9(4) . . . . ?
C12 C3 C4 C5 0.2(4) . . . . ?
C2 C3 C4 C5 179.7(2) . . . . ?
C3 C4 C5 C6 177.4(2) . . . . ?
C3 C4 C5 C10 -0.3(3) . . . . ?
C10 C5 C6 C7 1.2(4) . . . . ?
C4 C5 C6 C7 -176.6(2) . . . . ?
C5 C6 C7 C8 -4.0(4) . . . . ?
C5 C6 C7 C15 173.6(2) . . . . ?
C6 C7 C8 C9 3.6(4) . . . . ?
C15 C7 C8 C9 -174.0(2) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C6 C5 C10 C11 -177.7(2) . . . . ?
C4 C5 C10 C11 0.1(3) . . . . ?
C6 C5 C10 C9 2.1(3) . . . . ?
C4 C5 C10 C9 179.9(2) . . . . ?
C8 C9 C10 C11 177.2(2) . . . . ?
C8 C9 C10 C5 -2.6(4) . . . . ?
C5 C10 C11 C12 0.2(4) . . . . ?
C9 C10 C11 C12 -179.6(2) . . . . ?
C10 C11 C12 C13 -176.7(2) . . . . ?
C10 C11 C12 C3 -0.2(4) . . . . ?
C4 C3 C12 C13 176.6(2) . . . . ?
C2 C3 C12 C13 -2.8(4) . . . . ?
C4 C3 C12 C11 0.0(3) . . . . ?
C2 C3 C12 C11 -179.4(2) . . . . ?
C11 C12 C13 C14 175.9(3) . . . . ?
C3 C12 C13 C14 -0.6(4) . . . . ?
C12 C13 C14 C1 3.1(4) . . . . ?
C12 C13 C14 C21 -173.3(2) . . . . ?
C2 C1 C14 C13 -2.0(4) . . . . ?
C2 C1 C14 C21 174.4(2) . . . . ?
C6 C7 C15 C16 11.0(4) . . . . ?
C8 C7 C15 C16 -171.5(2) . . . . ?
C6 C7 C15 C20 -168.6(3) . . . . ?
C8 C7 C15 C20 9.0(4) . . . . ?
C20 C15 C16 C17 1.1(4) . . . . ?
C7 C15 C16 C17 -178.5(2) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C16 C17 C18 C19 0.2(4) . . . . ?
C16 C17 C18 C27 -179.5(3) . . . . ?
C17 C18 C19 C20 0.6(4) . . . . ?
C27 C18 C19 C20 -179.7(3) . . . . ?
C18 C19 C20 C15 -0.5(4) . . . . ?
C16 C15 C20 C19 -0.3(4) . . . . ?
C7 C15 C20 C19 179.3(2) . . . . ?
C13 C14 C21 C26 -11.6(4) . . . . ?
C1 C14 C21 C26 172.1(2) . . . . ?
C13 C14 C21 C22 166.5(3) . . . . ?
C1 C14 C21 C22 -9.9(4) . . . . ?
C26 C21 C22 C23 1.0(4) . . . . ?
C14 C21 C22 C23 -177.1(3) . . . . ?
C21 C22 C23 C24 -0.3(4) . . . . ?
C22 C23 C24 C25 -0.1(4) . . . . ?
C22 C23 C24 C30 178.1(3) . . . . ?
C23 C24 C25 C26 -0.2(4) . . . . ?
C30 C24 C25 C26 -178.3(3) . . . . ?
C24 C25 C26 C21 0.9(4) . . . . ?
C22 C21 C26 C25 -1.3(4) . . . . ?
C14 C21 C26 C25 176.9(2) . . . . ?
C19 C18 C27 C28 8.4(4) . . . . ?
C17 C18 C27 C28 -171.9(3) . . . . ?
C18 C27 C28 C29 174.6(3) . . . . ?
C23 C24 C30 C31 99.8(3) . . . . ?
C25 C24 C30 C31 -82.1(4) . . . . ?
C24 C30 C31 C32 175.7(3) . . . . ?
