#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:03:07 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180370 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/39/7203940.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_7203940
loop_
_publ_author_name
'Baxter, Ian'
'Colquhoun, Howard M.'
'Hodge, Philip'
'Kohnke, Franz H.'
'Lewis, David F.'
'Williams, David J.'
_publ_section_title
;
 Macrocyclic oligomers of the aromatic polyetherketone
 “PK99”: synthesis, fractionation, structural
 characterisation and ring-opening polymerisation
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              309
_journal_paper_doi               10.1039/a908414b
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'C66 H44 Cl4 O8'
_chemical_formula_weight         1106.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                107.851(5)
_cell_angle_beta                 100.953(5)
_cell_angle_gamma                96.477(7)
_cell_formula_units_Z            1
_cell_length_a                   10.8001(9)
_cell_length_b                   11.0160(9)
_cell_length_c                   12.4143(9)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.96
_cell_measurement_theta_min      11.02
_cell_volume                     1356.9(2)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4421
_diffrn_reflns_theta_max         62.00
_diffrn_reflns_theta_min         3.85
_diffrn_standards_decay_%        5.86
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.458
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Clear
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_description       prism
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       0.0023(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.042
_refine_ls_goodness_of_fit_obs   1.092
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         3852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_restrained_S_obs      1.092
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_obs          0.0638
_refine_ls_shift/esd_max         -0.020
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0914P)²+0.4939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2081
_refine_ls_wR_factor_obs         0.1754
_reflns_number_observed          3173
_reflns_number_total             4171
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a908414b.txt
_cod_data_source_block           f9701
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0914P)^2^+0.4939P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0914P)^2^+0.4939P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7203940
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
O1 O -0.3381(2) 0.1722(2) 0.1125(2) 0.0715(6) Uani 1 d . .
C2 C -0.2650(3) 0.0771(3) 0.0944(2) 0.0546(7) Uani 1 d . .
C3 C -0.2303(3) 0.0227(3) -0.0095(2) 0.0602(8) Uani 1 d . .
H3A H -0.2526(3) 0.0533(3) -0.0713(2) 0.072 Uiso 1 calc R .
C4 C -0.1622(3) -0.0775(3) -0.0201(2) 0.0589(7) Uani 1 d . .
H4A H -0.1404(3) -0.1156(3) -0.0902(2) 0.071 Uiso 1 calc R .
C5 C -0.1257(3) -0.1224(3) 0.0719(2) 0.0530(7) Uani 1 d . .
C6 C -0.1610(3) -0.0654(3) 0.1753(2) 0.0568(7) Uani 1 d . .
H6A H -0.1369(3) -0.0942(3) 0.2379(2) 0.068 Uiso 1 calc R .
C7 C -0.2308(3) 0.0330(3) 0.1867(2) 0.0578(7) Uani 1 d . .
H7A H -0.2548(3) 0.0694(3) 0.2560(2) 0.069 Uiso 1 calc R .
C8 C -0.0570(3) -0.2340(3) 0.0546(3) 0.0585(7) Uani 1 d . .
O8 O -0.0633(2) -0.3082(2) -0.0432(2) 0.0832(7) Uani 1 d . .
C9 C 0.0188(3) -0.2573(3) 0.1574(3) 0.0553(7) Uani 1 d . .
C10 C 0.1031(3) -0.1574(3) 0.2497(2) 0.0537(7) Uani 1 d . .
H10A H 0.1106(3) -0.0727(3) 0.2490(2) 0.064 Uiso 1 calc R .
C11 C 0.1751(3) -0.1830(3) 0.3415(2) 0.0560(7) Uani 1 d . .
C12 C 0.1630(3) -0.3099(3) 0.3429(3) 0.0679(8) Uani 1 d . .
H12A H 0.2093(3) -0.3276(3) 0.4059(3) 0.082 Uiso 1 calc R .
C13 C 0.0827(4) -0.4085(3) 0.2513(3) 0.0746(9) Uani 1 d . .
H13A H 0.0764(4) -0.4934(3) 0.2515(3) 0.089 Uiso 1 calc R .
C14 C 0.0121(3) -0.3834(3) 0.1597(3) 0.0677(8) Uani 1 d . .
H14A H -0.0414(3) -0.4514(3) 0.0980(3) 0.081 Uiso 1 calc R .
C15 C 0.2600(3) -0.0758(3) 0.4451(3) 0.0593(7) Uani 1 d . .
O15 O 0.2546(2) -0.0745(3) 0.5425(2) 0.0833(7) Uani 1 d . .
C16 C 0.3466(3) 0.0260(3) 0.4267(2) 0.0532(7) Uani 1 d . .
C17 C 0.3856(3) 0.0088(3) 0.3236(2) 0.0570(7) Uani 1 d . .
H17A H 0.3560(3) -0.0694(3) 0.2625(2) 0.068 Uiso 1 calc R .
C18 C 0.4672(3) 0.1054(3) 0.3104(3) 0.0628(8) Uani 1 d . .
H18A H 0.4935(3) 0.0927(3) 0.2413(3) 0.075 Uiso 1 calc R .
C19 C 0.5098(3) 0.2219(3) 0.4015(3) 0.0614(8) Uani 1 d . .
C20 C 0.4756(3) 0.2406(3) 0.5051(3) 0.0663(8) Uani 1 d . .
H20A H 0.5070(3) 0.3185(3) 0.5663(3) 0.080 Uiso 1 calc R .
C21 C 0.3948(3) 0.1438(3) 0.5181(3) 0.0642(8) Uani 1 d . .
H21A H 0.3715(3) 0.1564(3) 0.5886(3) 0.077 Uiso 1 calc R .
O22 O 0.5970(2) 0.3194(2) 0.3922(2) 0.0767(7) Uani 1 d . .
C23 C 0.5527(3) 0.3887(3) 0.3224(3) 0.0575(7) Uani 1 d . .
C24 C 0.4249(3) 0.3840(3) 0.2771(3) 0.0709(9) Uani 1 d . .
H24A H 0.3622(3) 0.3299(3) 0.2914(3) 0.085 Uiso 1 calc R .
C25 C 0.3900(3) 0.4601(3) 0.2103(3) 0.0680(9) Uani 1 d . .
H25A H 0.3034(3) 0.4557(3) 0.1800(3) 0.082 Uiso 1 calc R .
C26 C 0.4792(3) 0.5422(3) 0.1869(2) 0.0517(7) Uani 1 d . .
C27 C 0.6069(3) 0.5443(3) 0.2340(3) 0.0628(8) Uani 1 d . .
H27A H 0.6698(3) 0.5981(3) 0.2197(3) 0.075 Uiso 1 calc R .
C28 C 0.6441(3) 0.4701(3) 0.3008(3) 0.0673(8) Uani 1 d . .
H28A H 0.7307(3) 0.4747(3) 0.3315(3) 0.081 Uiso 1 calc R .
C29 C 0.4402(3) 0.6221(3) 0.1134(2) 0.0539(7) Uani 1 d . .
C30 C 0.3141(3) 0.6161(4) 0.0624(3) 0.0735(9) Uani 1 d . .
H30A H 0.2511(3) 0.5625(4) 0.0768(3) 0.088 Uiso 1 calc R .
C31 C 0.2772(3) 0.6859(4) -0.0091(3) 0.0786(10) Uani 1 d . .
H31A H 0.1907(3) 0.6787(4) -0.0423(3) 0.094 Uiso 1 calc R .
C32 C 0.3680(3) 0.7659(3) -0.0312(3) 0.0603(8) Uani 1 d . .
C33 C 0.4940(4) 0.7769(4) 0.0200(3) 0.0807(10) Uani 1 d . .
H33A H 0.5565(4) 0.8324(4) 0.0069(3) 0.097 Uiso 1 calc R .
C34 C 0.5288(4) 0.7060(4) 0.0909(4) 0.0849(11) Uani 1 d . .
H34A H 0.6153(4) 0.7148(4) 0.1250(4) 0.102 Uiso 1 calc R .
C50A C 1.0003(14) 0.7708(31) 0.5813(15) 0.230(18) Uani 0.45 d P 1
C50B C 0.9720(26) 0.7280(20) 0.5472(21) 0.085(6) Uiso 0.25 d P 1
C50C C 1.0651(39) 0.6514(42) 0.6036(34) 0.114(10) Uiso 0.15 d P 1
C50D C 0.9057(36) 0.7934(35) 0.5832(33) 0.103(9) Uiso 0.15 d P 1
Cl1A Cl 0.9179(6) 0.7528(5) 0.6841(5) 0.285(4) Uani 0.65 d P 1
Cl1B Cl 0.9282(8) 0.8498(9) 0.5010(9) 0.189(3) Uani 0.40 d P 1
Cl1C Cl 0.9829(9) 0.5665(6) 0.5302(7) 0.169(3) Uani 0.27 d P 1
Cl1D Cl 0.8954(16) 0.7567(19) 0.4480(23) 0.222(10) Uani 0.18 d P 1
Cl1E Cl 1.0864(18) 0.7442(17) 0.5751(14) 0.184(5) Uiso 0.15 d P 1
Cl1F Cl 0.8893(16) 0.7196(17) 0.6416(15) 0.132(4) Uiso 0.15 d P 1
Cl1G Cl 0.8639(22) 0.6131(23) 0.5788(19) 0.161(6) Uiso 0.10 d P 1
Cl1H Cl 0.8163(33) 0.6713(33) 0.5543(30) 0.220(11) Uiso 0.10 d P 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
C2 O1 C32 120.9(2) . 2_565 ?
O1 C2 C7 115.2(3) . . ?
O1 C2 C3 124.0(3) . . ?
C7 C2 C3 120.7(3) . . ?
C4 C3 C2 119.0(3) . . ?
C3 C4 C5 121.2(3) . . ?
C4 C5 C6 118.4(3) . . ?
C4 C5 C8 119.2(3) . . ?
C6 C5 C8 122.3(3) . . ?
C7 C6 C5 121.2(3) . . ?
C6 C7 C2 119.4(3) . . ?
O8 C8 C5 120.8(3) . . ?
O8 C8 C9 119.3(3) . . ?
C5 C8 C9 119.9(2) . . ?
C14 C9 C10 118.2(3) . . ?
C14 C9 C8 119.5(3) . . ?
C10 C9 C8 122.3(3) . . ?
C11 C10 C9 120.8(3) . . ?
C10 C11 C12 119.5(3) . . ?
C10 C11 C15 121.5(3) . . ?
C12 C11 C15 118.8(3) . . ?
C13 C12 C11 119.9(3) . . ?
C14 C13 C12 120.6(3) . . ?
C13 C14 C9 121.0(3) . . ?
O15 C15 C16 121.5(3) . . ?
O15 C15 C11 118.9(3) . . ?
C16 C15 C11 119.6(2) . . ?
C17 C16 C21 118.2(3) . . ?
C17 C16 C15 122.8(3) . . ?
C21 C16 C15 118.9(3) . . ?
C18 C17 C16 121.1(3) . . ?
C17 C18 C19 119.0(3) . . ?
C20 C19 C18 121.3(3) . . ?
C20 C19 O22 118.4(3) . . ?
C18 C19 O22 120.2(3) . . ?
C19 C20 C21 119.4(3) . . ?
C20 C21 C16 120.9(3) . . ?
C23 O22 C19 118.1(2) . . ?
O22 C23 C24 124.2(3) . . ?
O22 C23 C28 116.5(3) . . ?
C24 C23 C28 119.3(3) . . ?
C23 C24 C25 119.8(3) . . ?
C26 C25 C24 122.3(3) . . ?
C25 C26 C27 116.2(3) . . ?
C25 C26 C29 121.7(3) . . ?
C27 C26 C29 122.0(3) . . ?
C28 C27 C26 122.6(3) . . ?
C27 C28 C23 119.8(3) . . ?
C30 C29 C34 115.6(3) . . ?
C30 C29 C26 122.2(3) . . ?
C34 C29 C26 122.1(3) . . ?
C29 C30 C31 122.8(3) . . ?
C32 C31 C30 119.7(3) . . ?
C33 C32 C31 119.2(3) . . ?
C33 C32 O1 118.1(3) . 2_565 ?
C31 C32 O1 122.4(3) . 2_565 ?
C32 C33 C34 120.0(3) . . ?
C33 C34 C29 122.5(3) . . ?
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
O1 C2 1.372(3) . ?
O1 C32 1.391(3) 2_565 ?
C2 C7 1.381(4) . ?
C2 C3 1.387(4) . ?
C3 C4 1.382(4) . ?
C4 C5 1.386(4) . ?
C5 C6 1.390(4) . ?
C5 C8 1.487(4) . ?
C6 C7 1.376(4) . ?
C8 O8 1.223(4) . ?
C8 C9 1.488(4) . ?
C9 C14 1.392(4) . ?
C9 C10 1.399(4) . ?
C10 C11 1.376(4) . ?
C11 C12 1.395(4) . ?
C11 C15 1.505(4) . ?
C12 C13 1.372(5) . ?
C13 C14 1.365(5) . ?
C15 O15 1.217(3) . ?
C15 C16 1.479(4) . ?
C16 C17 1.388(4) . ?
C16 C21 1.401(4) . ?
C17 C18 1.373(4) . ?
C18 C19 1.385(4) . ?
C19 C20 1.367(4) . ?
C19 O22 1.394(4) . ?
C20 C21 1.369(4) . ?
O22 C23 1.376(3) . ?
C23 C24 1.377(4) . ?
C23 C28 1.378(4) . ?
C24 C25 1.382(4) . ?
C25 C26 1.378(4) . ?
C26 C27 1.387(4) . ?
C26 C29 1.488(4) . ?
C27 C28 1.372(4) . ?
C29 C30 1.374(4) . ?
C29 C34 1.381(4) . ?
C30 C31 1.375(4) . ?
C31 C32 1.367(5) . ?
C32 C33 1.363(5) . ?
C32 O1 1.391(3) 2_565 ?
C33 C34 1.374(5) . ?
C50A Cl1B 1.66(3) . ?
C50A Cl1F 1.66(3) . ?
C50A Cl1A 1.73(2) . ?
C50A Cl1D 1.77(4) . ?
C50B Cl1D 1.49(3) . ?
C50B Cl1F 1.62(3) . ?
C50B Cl1B 1.69(2) . ?
C50B Cl1C 1.75(2) . ?
C50B Cl1H 1.75(4) . ?
C50B Cl1G 1.81(3) . ?
C50B Cl1A 1.85(2) . ?
C50D Cl1D 1.58(4) . ?
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
C32 O1 C2 C7 173.5(3) 2_565 . . . ?
C32 O1 C2 C3 -9.1(5) 2_565 . . . ?
O1 C2 C3 C4 -176.5(3) . . . . ?
C7 C2 C3 C4 0.7(5) . . . . ?
C2 C3 C4 C5 -1.4(5) . . . . ?
C3 C4 C5 C6 1.0(4) . . . . ?
C3 C4 C5 C8 177.6(3) . . . . ?
C4 C5 C6 C7 0.2(4) . . . . ?
C8 C5 C6 C7 -176.3(3) . . . . ?
C5 C6 C7 C2 -0.9(5) . . . . ?
O1 C2 C7 C6 177.9(3) . . . . ?
C3 C2 C7 C6 0.4(5) . . . . ?
C4 C5 C8 O8 -20.5(4) . . . . ?
C6 C5 C8 O8 156.0(3) . . . . ?
C4 C5 C8 C9 160.4(3) . . . . ?
C6 C5 C8 C9 -23.1(4) . . . . ?
O8 C8 C9 C14 -41.3(4) . . . . ?
C5 C8 C9 C14 137.8(3) . . . . ?
O8 C8 C9 C10 135.0(3) . . . . ?
C5 C8 C9 C10 -45.9(4) . . . . ?
C14 C9 C10 C11 -1.5(4) . . . . ?
C8 C9 C10 C11 -177.7(3) . . . . ?
C9 C10 C11 C12 -0.5(4) . . . . ?
C9 C10 C11 C15 -176.1(3) . . . . ?
C10 C11 C12 C13 2.1(5) . . . . ?
C15 C11 C12 C13 177.7(3) . . . . ?
C11 C12 C13 C14 -1.6(5) . . . . ?
C12 C13 C14 C9 -0.5(5) . . . . ?
C10 C9 C14 C13 2.0(5) . . . . ?
C8 C9 C14 C13 178.4(3) . . . . ?
C10 C11 C15 O15 132.0(3) . . . . ?
C12 C11 C15 O15 -43.6(4) . . . . ?
C10 C11 C15 C16 -47.3(4) . . . . ?
C12 C11 C15 C16 137.1(3) . . . . ?
O15 C15 C16 C17 159.4(3) . . . . ?
C11 C15 C16 C17 -21.2(4) . . . . ?
O15 C15 C16 C21 -18.6(5) . . . . ?
C11 C15 C16 C21 160.7(3) . . . . ?
C21 C16 C17 C18 -1.3(4) . . . . ?
C15 C16 C17 C18 -179.4(3) . . . . ?
C16 C17 C18 C19 -0.6(4) . . . . ?
C17 C18 C19 C20 2.3(5) . . . . ?
C17 C18 C19 O22 177.2(3) . . . . ?
C18 C19 C20 C21 -1.9(5) . . . . ?
O22 C19 C20 C21 -177.0(3) . . . . ?
C19 C20 C21 C16 -0.1(5) . . . . ?
C17 C16 C21 C20 1.6(4) . . . . ?
C15 C16 C21 C20 179.8(3) . . . . ?
C20 C19 O22 C23 -110.3(3) . . . . ?
C18 C19 O22 C23 74.6(4) . . . . ?
C19 O22 C23 C24 11.7(5) . . . . ?
C19 O22 C23 C28 -170.3(3) . . . . ?
O22 C23 C24 C25 178.3(3) . . . . ?
C28 C23 C24 C25 0.4(5) . . . . ?
C23 C24 C25 C26 -0.2(5) . . . . ?
C24 C25 C26 C27 0.2(5) . . . . ?
C24 C25 C26 C29 179.1(3) . . . . ?
C25 C26 C27 C28 -0.4(5) . . . . ?
C29 C26 C27 C28 -179.3(3) . . . . ?
C26 C27 C28 C23 0.6(5) . . . . ?
O22 C23 C28 C27 -178.6(3) . . . . ?
C24 C23 C28 C27 -0.6(5) . . . . ?
C25 C26 C29 C30 -1.8(5) . . . . ?
C27 C26 C29 C30 177.0(3) . . . . ?
C25 C26 C29 C34 179.1(3) . . . . ?
C27 C26 C29 C34 -2.1(5) . . . . ?
C34 C29 C30 C31 1.6(5) . . . . ?
C26 C29 C30 C31 -177.6(3) . . . . ?
C29 C30 C31 C32 -0.3(6) . . . . ?
C30 C31 C32 C33 -1.2(6) . . . . ?
C30 C31 C32 O1 172.8(3) . . . 2_565 ?
C31 C32 C33 C34 1.4(6) . . . . ?
O1 C32 C33 C34 -172.8(3) 2_565 . . . ?
C32 C33 C34 C29 0.0(6) . . . . ?
C30 C29 C34 C33 -1.4(6) . . . . ?
C26 C29 C34 C33 177.8(3) . . . . ?
