#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/15/2201538.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201538
loop_
_publ_author_name
'Zhuang, Jun-Peng'
'Zheng, Yan'
'Zhang, Wen-Qin'
_publ_section_title
r-1,c-2,t-3,t-4-1-(2-Benzoxazolyl)-2-biphenyl-4-phenyl-3-pyridinylcyclobutane
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o720
_journal_page_last               o722
_journal_paper_doi               10.1107/S1600536802009418
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C34 H26 N2 O'
_chemical_formula_moiety         'C34 H26 N2 O'
_chemical_formula_sum            'C34 H26 N2 O'
_chemical_formula_weight         478.57
_chemical_name_systematic
;
r-1,c-2,t-3,t-4-1-(2-benzoxazolyl)-2-biphenyl-4-phenyl-3-
pyridinylcyclobutane
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.273(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.661(5)
_cell_length_b                   19.247(7)
_cell_length_c                   11.010(4)
_cell_measurement_reflns_used    93
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.7
_cell_measurement_theta_min      2.34
_cell_volume                     2562.0(17)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SHELXTL (Bruker, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.0820
_diffrn_reflns_av_sigmaI/netI    0.1056
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10446
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.9889
_exptl_absorpt_correction_T_min  0.9743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.156
_refine_diff_density_min         -0.164
_refine_ls_extinction_coef       0.0023(4)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4517
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1533
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.038P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1147
_reflns_number_gt                1891
_reflns_number_total             4517
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ob6119.cif
_cod_data_source_block           I
_cod_original_cell_volume        2561.8(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201538
_cod_database_fobs_code          2201538
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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1 0.87292(19) 0.90551(12) 0.1137(2) 0.0540(7) Uani d P 0.50 A 1 O
N1A 0.87292(19) 0.90551(12) 0.1137(2) 0.0540(7) Uani d P 0.50 A 1 N
N2 0.8346(2) 1.28815(14) -0.0255(3) 0.0629(8) Uani d . 1 . . N
N1 0.78546(19) 0.87502(13) 0.2529(2) 0.0595(7) Uani d P 0.50 A 2 N
O1A 0.78546(19) 0.87502(13) 0.2529(2) 0.0595(7) Uani d P 0.50 A 2 O
C1 0.8093(2) 0.99903(15) 0.2248(3) 0.0449(8) Uani d . 1 A . C
H1 0.7789 1.0051 0.2962 0.054 Uiso calc R 1 . . H
C2 0.9066(2) 1.05012(14) 0.2327(3) 0.0419(8) Uani d . 1 . . C
H2 0.9040 1.0879 0.2915 0.050 Uiso calc R 1 . . H
C3 0.8477(2) 1.07406(14) 0.0953(3) 0.0427(8) Uani d . 1 . . C
H3 0.8776 1.0472 0.0374 0.051 Uiso calc R 1 . . H
C4 0.7385(2) 1.03766(14) 0.1025(3) 0.0459(8) Uani d . 1 . . C
H4 0.7123 1.0047 0.0321 0.055 Uiso calc R 1 . . H
C5 0.8259(3) 0.92571(16) 0.2008(3) 0.0505(9) Uani d . 1 . . C
C6 0.8618(3) 0.83397(17) 0.1102(3) 0.0494(8) Uani d . 1 . . C
C7 0.8953(3) 0.7853(2) 0.0375(3) 0.0723(11) Uani d . 1 A . C
H7 0.9344 0.7982 -0.0183 0.087 Uiso calc R 1 . . H
C8 0.8691(3) 0.7180(2) 0.0502(4) 0.0811(12) Uani d . 1 . . C
H8 0.8902 0.6842 0.0017 0.097 Uiso calc R 1 A . H
C9 0.8124(4) 0.6987(2) 0.1331(4) 0.0838(13) Uani d . 1 A . C
H9 0.7949 0.6521 0.1388 0.101 Uiso calc R 1 . . H
C10 0.7808(3) 0.7467(2) 0.2081(4) 0.0770(12) Uani d . 1 . . C
H10 0.7431 0.7337 0.2652 0.092 Uiso calc R 1 A . H
C11 0.8076(3) 0.81485(17) 0.1947(3) 0.0516(9) Uani d . 1 A . C
C12 1.0231(2) 1.02363(14) 0.2637(3) 0.0387(7) Uani d . 1 . . C
C13 1.0917(3) 1.04226(14) 0.1924(3) 0.0469(8) Uani d . 1 . . C
H13 1.0651 1.0714 0.1226 0.056 Uiso calc R 1 . . H
C14 1.1990(3) 1.01841(14) 0.2231(3) 0.0456(8) Uani d . 1 . . C
H14 1.2432 1.0321 0.1732 0.055 Uiso calc R 1 . . H
C15 1.2436(2) 0.97474(15) 0.3259(3) 0.0411(8) Uani d . 1 . . C
C16 1.1735(2) 0.95591(15) 0.3978(3) 0.0483(8) Uani d . 1 . . C
H16 1.1996 0.9265 0.4673 0.058 Uiso calc R 1 . . H
C17 1.0663(2) 0.98033(16) 0.3671(3) 0.0489(8) Uani d . 1 . . C
H17 1.0219 0.9674 0.4171 0.059 Uiso calc R 1 . . H
C18 1.3561(3) 0.94607(17) 0.3537(3) 0.0452(8) Uani d . 1 . . C
C19 1.4403(3) 0.98439(18) 0.3288(3) 0.0644(10) Uani d . 1 . . C
H19 1.4265 1.0293 0.2971 0.077 Uiso calc R 1 . . H
C20 1.5443(3) 0.9559(3) 0.3513(4) 0.0844(13) Uani d . 1 . . C
H20 1.5999 0.9818 0.3335 0.101 Uiso calc R 1 . . H
C21 1.5670(3) 0.8908(3) 0.3986(4) 0.0865(13) Uani d . 1 . . C
H21 1.6373 0.8722 0.4121 0.104 Uiso calc R 1 . . H
C22 1.4858(3) 0.8526(2) 0.4264(3) 0.0807(12) Uani d . 1 . . C
H22 1.5012 0.8083 0.4604 0.097 Uiso calc R 1 . . H
C23 1.3811(3) 0.88034(18) 0.4037(3) 0.0624(10) Uani d . 1 . . C
H23 1.3264 0.8541 0.4226 0.075 Uiso calc R 1 . . H
C24 0.6456(2) 1.08255(15) 0.1129(3) 0.0483(8) Uani d . 1 . . C
C25 0.6441(3) 1.11766(16) 0.2206(3) 0.0636(10) Uani d . 1 . . C
H25 0.7047 1.1148 0.2930 0.076 Uiso calc R 1 . . H
C26 0.5538(4) 1.15730(18) 0.2236(4) 0.0845(13) Uani d . 1 . . C
H26 0.5537 1.1802 0.2979 0.101 Uiso calc R 1 . . H
C27 0.4646(3) 1.1629(2) 0.1172(6) 0.0929(15) Uani d . 1 . . C
H27 0.4037 1.1895 0.1189 0.111 Uiso calc R 1 . . H
C28 0.4657(3) 1.1295(2) 0.0098(5) 0.1088(16) Uani d . 1 . . C
H28 0.4056 1.1335 -0.0630 0.131 Uiso calc R 1 . . H
C29 0.5546(3) 1.08983(19) 0.0072(4) 0.0817(12) Uani d . 1 . . C
H29 0.5537 1.0672 -0.0677 0.098 Uiso calc R 1 . . H
C30 0.8444(2) 1.14866(15) 0.0578(3) 0.0418(8) Uani d . 1 . . C
C31 0.8907(3) 1.20190(17) 0.1389(3) 0.0554(9) Uani d . 1 . . C
H31 0.9268 1.1927 0.2240 0.066 Uiso calc R 1 . . H
C32 0.8836(3) 1.26948(18) 0.0936(4) 0.0633(10) Uani d . 1 . . C
H32 0.9156 1.3043 0.1513 0.076 Uiso calc R 1 . . H
C33 0.7899(3) 1.23608(19) -0.1024(3) 0.0673(10) Uani d . 1 . . C
H33 0.7536 1.2468 -0.1869 0.081 Uiso calc R 1 . . H
C34 0.7930(3) 1.16731(17) -0.0667(3) 0.0629(10) Uani d . 1 . . C
H34 0.7604 1.1335 -0.1265 0.076 Uiso calc R 1 . . H
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C5 O1 C6 104.3(3) y
C32 N2 C33 114.4(3) ?
C5 N1 C11 105.1(3) y
C5 C1 C2 117.8(3) y
C5 C1 C4 112.3(2) y
C2 C1 C4 89.4(2) y
C5 C1 H1 111.8 ?
C2 C1 H1 111.8 ?
C4 C1 H1 111.8 ?
C12 C2 C3 118.7(2) y
C12 C2 C1 120.4(2) y
C3 C2 C1 89.4(2) y
C12 C2 H2 108.9 ?
C3 C2 H2 108.9 ?
C1 C2 H2 108.9 ?
C30 C3 C2 121.6(3) y
C30 C3 C4 119.4(2) y
C2 C3 C4 89.6(2) y
C30 C3 H3 108.2 ?
C2 C3 H3 108.2 ?
C4 C3 H3 108.2 ?
C24 C4 C1 118.2(2) y
C24 C4 C3 118.1(2) y
C1 C4 C3 88.2(2) y
C24 C4 H4 110.2 ?
C1 C4 H4 110.2 ?
C3 C4 H4 110.2 ?
N1 C5 O1 114.5(3) y
N1 C5 C1 123.0(3) y
O1 C5 C1 122.1(3) y
C11 C6 C7 121.2(3) y
C11 C6 O1 108.6(3) y
C7 C6 O1 130.2(3) y
C8 C7 C6 117.6(4) ?
C8 C7 H7 121.2 ?
C6 C7 H7 121.2 ?
C7 C8 C9 121.4(4) ?
C7 C8 H8 119.3 ?
C9 C8 H8 119.3 ?
C8 C9 C10 121.4(4) ?
C8 C9 H9 119.3 ?
C10 C9 H9 119.3 ?
C11 C10 C9 116.9(4) ?
C11 C10 H10 121.6 ?
C9 C10 H10 121.6 ?
C6 C11 C10 121.5(4) y
C6 C11 N1 107.5(3) y
C10 C11 N1 130.9(4) y
C13 C12 C17 117.5(3) ?
C13 C12 C2 121.6(3) ?
C17 C12 C2 120.9(3) ?
C14 C13 C12 121.0(3) ?
C14 C13 H13 119.5 ?
C12 C13 H13 119.5 ?
C13 C14 C15 122.3(3) ?
C13 C14 H14 118.9 ?
C15 C14 H14 118.9 ?
C14 C15 C16 116.4(3) ?
C14 C15 C18 122.0(3) ?
C16 C15 C18 121.4(3) ?
C17 C16 C15 121.0(3) ?
C17 C16 H16 119.5 ?
C15 C16 H16 119.5 ?
C16 C17 C12 121.7(3) ?
C16 C17 H17 119.1 ?
C12 C17 H17 119.1 ?
C23 C18 C19 117.8(3) ?
C23 C18 C15 121.4(3) ?
C19 C18 C15 120.8(3) ?
C20 C19 C18 120.1(3) ?
C20 C19 H19 120.0 ?
C18 C19 H19 120.0 ?
C21 C20 C19 121.2(4) ?
C21 C20 H20 119.4 ?
C19 C20 H20 119.4 ?
C20 C21 C22 119.7(4) ?
C20 C21 H21 120.2 ?
C22 C21 H21 120.2 ?
C21 C22 C23 119.7(4) ?
C21 C22 H22 120.1 ?
C23 C22 H22 120.1 ?
C18 C23 C22 121.4(3) ?
C18 C23 H23 119.3 ?
C22 C23 H23 119.3 ?
C25 C24 C29 117.2(3) ?
C25 C24 C4 124.5(3) ?
C29 C24 C4 118.3(3) ?
C24 C25 C26 121.1(3) ?
C24 C25 H25 119.4 ?
C26 C25 H25 119.4 ?
C27 C26 C25 120.1(4) ?
C27 C26 H26 120.0 ?
C25 C26 H26 120.0 ?
C28 C27 C26 119.5(4) ?
C28 C27 H27 120.3 ?
C26 C27 H27 120.3 ?
C27 C28 C29 120.5(4) ?
C27 C28 H28 119.8 ?
C29 C28 H28 119.8 ?
C28 C29 C24 121.7(4) ?
C28 C29 H29 119.2 ?
C24 C29 H29 119.2 ?
C31 C30 C34 115.9(3) ?
C31 C30 C3 124.6(3) ?
C34 C30 C3 119.5(3) ?
C30 C31 C32 119.8(3) ?
C30 C31 H31 120.1 ?
C32 C31 H31 120.1 ?
N2 C32 C31 124.9(3) ?
N2 C32 H32 117.5 ?
C31 C32 H32 117.5 ?
N2 C33 C34 125.0(3) ?
N2 C33 H33 117.5 ?
C34 C33 H33 117.5 ?
C33 C34 C30 119.9(3) ?
C33 C34 H34 120.1 ?
C30 C34 H34 120.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C5 . 1.329(3) y
O1 C6 . 1.384(3) y
N2 C32 . 1.323(4) ?
N2 C33 . 1.325(4) ?
N1 C5 . 1.310(3) y
N1 C11 . 1.392(3) y
C1 C5 . 1.462(4) y
C1 C2 . 1.558(4) y
C1 C4 . 1.566(4) y
C1 H1 . 0.9800 ?
C2 C12 . 1.502(4) y
C2 C3 . 1.545(4) y
C2 H2 . 0.9800 ?
C3 C30 . 1.491(4) y
C3 C4 . 1.572(4) y
C3 H3 . 0.9800 ?
C4 C24 . 1.491(4) y
C4 H4 . 0.9800 ?
C6 C11 . 1.360(4) y
C6 C7 . 1.378(4) ?
C7 C8 . 1.355(4) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.369(5) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.376(5) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.373(4) ?
C10 H10 . 0.9300 ?
C12 C13 . 1.380(3) ?
C12 C17 . 1.385(4) ?
C13 C14 . 1.378(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.388(4) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.401(4) ?
C15 C18 . 1.472(4) ?
C16 C17 . 1.380(4) ?
C16 H16 . 0.9300 ?
C17 H17 . 0.9300 ?
C18 C23 . 1.379(4) ?
C18 C19 . 1.388(4) ?
C19 C20 . 1.380(4) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.353(5) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.370(5) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.381(4) ?
C22 H22 . 0.9300 ?
C23 H23 . 0.9300 ?
C24 C25 . 1.370(4) ?
C24 C29 . 1.381(4) ?
C25 C26 . 1.382(4) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.368(5) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.350(5) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.367(5) ?
C28 H28 . 0.9300 ?
C29 H29 . 0.9300 ?
C30 C31 . 1.371(4) ?
C30 C34 . 1.379(4) ?
C31 C32 . 1.386(4) ?
C31 H31 . 0.9300 ?
C32 H32 . 0.9300 ?
C33 C34 . 1.378(4) ?
C33 H33 . 0.9300 ?
C34 H34 . 0.9300 ?
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
C5 C1 C2 C12 -22.3(4)
C4 C1 C2 C12 -137.4(3)
C5 C1 C2 C3 101.0(3)
C4 C1 C2 C3 -14.0(2)
C12 C2 C3 C30 -96.4(3)
C1 C2 C3 C30 138.8(3)
C12 C2 C3 C4 138.7(3)
C1 C2 C3 C4 14.0(2)
C5 C1 C4 C24 132.7(3)
C2 C1 C4 C24 -107.4(3)
C5 C1 C4 C3 -106.2(3)
C2 C1 C4 C3 13.8(2)
C30 C3 C4 C24 -19.4(4)
C2 C3 C4 C24 107.3(3)
C30 C3 C4 C1 -140.6(3)
C2 C3 C4 C1 -13.9(2)
C11 N1 C5 O1 0.0(4)
C11 N1 C5 C1 172.9(3)
C6 O1 C5 N1 -0.3(4)
C6 O1 C5 C1 -173.4(3)
C2 C1 C5 N1 143.5(3)
C4 C1 C5 N1 -114.8(3)
C2 C1 C5 O1 -44.0(4)
C4 C1 C5 O1 57.7(4)
C5 O1 C6 C11 0.6(3)
C5 O1 C6 C7 -180.0(3)
C11 C6 C7 C8 2.1(5)
O1 C6 C7 C8 -177.3(3)
C6 C7 C8 C9 -0.6(6)
C7 C8 C9 C10 -0.9(6)
C8 C9 C10 C11 0.8(6)
C7 C6 C11 C10 -2.2(5)
O1 C6 C11 C10 177.4(3)
C7 C6 C11 N1 179.9(3)
O1 C6 C11 N1 -0.6(4)
C9 C10 C11 C6 0.7(5)
C9 C10 C11 N1 178.1(3)
C5 N1 C11 C6 0.4(3)
C5 N1 C11 C10 -177.3(3)
C3 C2 C12 C13 23.7(4)
C1 C2 C12 C13 131.6(3)
C3 C2 C12 C17 -157.5(3)
C1 C2 C12 C17 -49.6(4)
C17 C12 C13 C14 0.1(4)
C2 C12 C13 C14 179.0(3)
C12 C13 C14 C15 0.2(4)
C13 C14 C15 C16 -0.1(4)
C13 C14 C15 C18 176.3(3)
C14 C15 C16 C17 -0.4(4)
C18 C15 C16 C17 -176.7(3)
C15 C16 C17 C12 0.7(4)
C13 C12 C17 C16 -0.6(4)
C2 C12 C17 C16 -179.5(3)
C14 C15 C18 C23 -145.3(3)
C16 C15 C18 C23 30.8(4)
C14 C15 C18 C19 34.0(4)
C16 C15 C18 C19 -149.9(3)
C23 C18 C19 C20 1.6(5)
C15 C18 C19 C20 -177.7(3)
C18 C19 C20 C21 -0.6(6)
C19 C20 C21 C22 -0.8(6)
C20 C21 C22 C23 1.2(6)
C19 C18 C23 C22 -1.2(5)
C15 C18 C23 C22 178.1(3)
C21 C22 C23 C18 -0.2(5)
C1 C4 C24 C25 30.5(4)
C3 C4 C24 C25 -73.7(4)
C1 C4 C24 C29 -149.7(3)
C3 C4 C24 C29 106.1(3)
C29 C24 C25 C26 1.4(5)
C4 C24 C25 C26 -178.8(3)
C24 C25 C26 C27 -1.0(6)
C25 C26 C27 C28 -0.1(6)
C26 C27 C28 C29 0.6(7)
C27 C28 C29 C24 -0.1(7)
C25 C24 C29 C28 -0.9(6)
C4 C24 C29 C28 179.3(4)
C2 C3 C30 C31 -0.7(4)
C4 C3 C30 C31 109.0(3)
C2 C3 C30 C34 178.6(3)
C4 C3 C30 C34 -71.7(4)
C34 C30 C31 C32 0.2(4)
C3 C30 C31 C32 179.5(3)
C33 N2 C32 C31 0.5(5)
C30 C31 C32 N2 -0.2(5)
C32 N2 C33 C34 -0.8(5)
N2 C33 C34 C30 0.8(5)
C31 C30 C34 C33 -0.4(5)
C3 C30 C34 C33 -179.8(3)
