#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:41:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180350 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/19/7201937.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_7201937
loop_
_publ_author_name
'Wang, Xiu-Jian'
'Gui, Liu-Cheng'
'Ni, Qing-Ling'
'Liao, Yan-Fang'
'Jiang, Xuan-Feng'
'Tang, Ling-Hua'
'Zhang, Zhong'
'Wu, Qiang'
_publ_section_title
;
 π-Stacking induced complexes with Z-shape motifs featuring a
 complementary approach between electron-rich arene diamines and
 electron-deficient aromatic N-heterocycles
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1003
_journal_paper_doi               10.1039/b800082d
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C28 H24 Ag N3 P, C3 H7 N O, C F3 O3 S'
_chemical_formula_sum            'C32 H31 Ag F3 N4 O4 P S'
_chemical_formula_weight         763.51
_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-97
_cell_angle_alpha                103.029(2)
_cell_angle_beta                 98.029(2)
_cell_angle_gamma                91.023(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6449(13)
_cell_length_b                   12.4087(17)
_cell_length_c                   14.0021(19)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      2.42
_cell_volume                     1614.5(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'ω scans'
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13723
_diffrn_reflns_theta_full        27.07
_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6941
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0410
_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)+(0.0481P)²+0.4618P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                5034
_reflns_number_total             6941
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b800082d.txt
_cod_data_source_block           complex6
_cod_database_code               7201937
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_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
Ag1 Ag -0.48704(3) 0.54202(2) 0.78878(2) 0.02668(10) Uani 1 1 d . . .
P1 P -0.35182(9) 0.38837(7) 0.80650(6) 0.02067(19) Uani 1 1 d . . .
S1 S -1.00577(9) -0.14344(8) 0.75167(7) 0.0307(2) Uani 1 1 d . . .
F1 F -1.0422(4) 0.0111(3) 0.9057(2) 0.0889(11) Uani 1 1 d . . .
F2 F -1.1993(3) -0.0027(3) 0.7835(3) 0.0811(10) Uani 1 1 d . . .
F3 F -0.9994(3) 0.0735(2) 0.7824(2) 0.0719(9) Uani 1 1 d . . .
O1 O -0.6781(3) -0.1351(2) 0.4871(2) 0.0462(7) Uani 1 1 d . . .
O2 O -0.8598(3) -0.1368(3) 0.7874(3) 0.0622(10) Uani 1 1 d . . .
O3 O -1.0881(3) -0.2180(2) 0.7879(2) 0.0412(7) Uani 1 1 d . . .
O4 O -1.0389(3) -0.1481(2) 0.6477(2) 0.0478(8) Uani 1 1 d . . .
N1 N -0.3059(3) 0.3650(2) 0.6149(2) 0.0270(7) Uani 1 1 d . . .
H1A H -0.3152 0.3039 0.5676 0.032 Uiso 1 1 calc R . .
N2 N -0.7014(3) 0.5259(2) 0.6861(2) 0.0287(7) Uani 1 1 d . . .
N3 N -0.4885(3) 0.7180(2) 0.8760(2) 0.0277(7) Uani 1 1 d . . .
N4 N -0.7696(3) 0.0317(2) 0.5332(2) 0.0289(7) Uani 1 1 d . . .
C1 C -0.4707(4) 0.4509(2) 0.5107(2) 0.0209(7) Uani 1 1 d . . .
C2 C -0.3615(4) 0.4601(3) 0.5930(2) 0.0218(7) Uani 1 1 d . . .
C3 C -0.3132(4) 0.5639(3) 0.6492(2) 0.0249(8) Uani 1 1 d . . .
H3A H -0.2401 0.5701 0.7036 0.030 Uiso 1 1 calc R . .
C4 C -0.3709(4) 0.6605(3) 0.6269(3) 0.0264(8) Uani 1 1 d . . .
H4A H -0.3358 0.7311 0.6661 0.032 Uiso 1 1 calc R . .
C5 C -0.4769(4) 0.6539(3) 0.5493(3) 0.0259(8) Uani 1 1 d . . .
H5A H -0.5155 0.7196 0.5356 0.031 Uiso 1 1 calc R . .
C6 C -0.2339(3) 0.3608(3) 0.7106(2) 0.0221(7) Uani 1 1 d . . .
H6A H -0.1542 0.4165 0.7295 0.027 Uiso 1 1 calc R . .
H6B H -0.1957 0.2868 0.7075 0.027 Uiso 1 1 calc R . .
C7 C -0.4598(3) 0.2618(3) 0.7911(2) 0.0239(7) Uani 1 1 d . . .
C8 C -0.5785(4) 0.2729(3) 0.8380(3) 0.0343(9) Uani 1 1 d . . .
H8A H -0.6008 0.3443 0.8720 0.041 Uiso 1 1 calc R . .
C9 C -0.6636(4) 0.1828(4) 0.8360(3) 0.0433(10) Uani 1 1 d . . .
H9A H -0.7445 0.1919 0.8681 0.052 Uiso 1 1 calc R . .
C10 C -0.6318(4) 0.0791(4) 0.7876(3) 0.0413(11) Uani 1 1 d . . .
H10A H -0.6894 0.0162 0.7876 0.050 Uiso 1 1 calc R . .
C11 C -0.5167(4) 0.0665(3) 0.7394(3) 0.0389(10) Uani 1 1 d . . .
H11A H -0.4961 -0.0051 0.7048 0.047 Uiso 1 1 calc R . .
C12 C -0.4296(4) 0.1578(3) 0.7405(3) 0.0309(8) Uani 1 1 d . . .
H12A H -0.3502 0.1486 0.7067 0.037 Uiso 1 1 calc R . .
C13 C -0.2327(3) 0.3933(3) 0.9207(2) 0.0237(7) Uani 1 1 d . . .
C14 C -0.1529(4) 0.3044(3) 0.9341(3) 0.0284(8) Uani 1 1 d . . .
H14A H -0.1581 0.2399 0.8818 0.034 Uiso 1 1 calc R . .
C15 C -0.0663(4) 0.3083(3) 1.0220(3) 0.0327(9) Uani 1 1 d . . .
H15A H -0.0121 0.2469 1.0301 0.039 Uiso 1 1 calc R . .
C16 C -0.0588(4) 0.4017(3) 1.0983(3) 0.0349(9) Uani 1 1 d . . .
H16A H -0.0004 0.4044 1.1594 0.042 Uiso 1 1 calc R . .
C17 C -0.1361(4) 0.4910(3) 1.0855(3) 0.0354(9) Uani 1 1 d . . .
H17A H -0.1298 0.5555 1.1378 0.042 Uiso 1 1 calc R . .
C18 C -0.2227(4) 0.4876(3) 0.9974(3) 0.0278(8) Uani 1 1 d . . .
H18A H -0.2754 0.5497 0.9892 0.033 Uiso 1 1 calc R . .
C19 C -0.7674(4) 0.6127(3) 0.6670(3) 0.0402(10) Uani 1 1 d . . .
H19A H -0.7328 0.6841 0.7047 0.048 Uiso 1 1 calc R . .
C20 C -0.8833(4) 0.6064(3) 0.5957(3) 0.0413(11) Uani 1 1 d . . .
H20A H -0.9257 0.6722 0.5856 0.050 Uiso 1 1 calc R . .
C21 C -0.9379(3) 0.5051(3) 0.5391(2) 0.0244(8) Uani 1 1 d . . .
C22 C -0.8676(4) 0.4137(3) 0.5575(3) 0.0423(11) Uani 1 1 d . . .
H22A H -0.8991 0.3415 0.5202 0.051 Uiso 1 1 calc R . .
C23 C -0.7530(4) 0.4275(3) 0.6295(3) 0.0406(10) Uani 1 1 d . . .
H23A H -0.7069 0.3632 0.6400 0.049 Uiso 1 1 calc R . .
C24 C -0.6012(4) 0.7572(3) 0.9134(3) 0.0347(9) Uani 1 1 d . . .
H24A H -0.6801 0.7078 0.9067 0.042 Uiso 1 1 calc R . .
C25 C -0.6094(4) 0.8664(3) 0.9617(3) 0.0339(9) Uani 1 1 d . . .
H25A H -0.6934 0.8904 0.9861 0.041 Uiso 1 1 calc R . .
C26 C -0.4973(4) 0.9408(3) 0.9747(2) 0.0230(7) Uani 1 1 d . . .
C27 C -0.3792(4) 0.8988(3) 0.9374(3) 0.0372(10) Uani 1 1 d . . .
H27A H -0.2977 0.9460 0.9451 0.045 Uiso 1 1 calc R . .
C28 C -0.3785(4) 0.7898(3) 0.8893(3) 0.0366(9) Uani 1 1 d . . .
H28A H -0.2957 0.7638 0.8641 0.044 Uiso 1 1 calc R . .
C29 C -0.6723(4) 0.0909(3) 0.4913(3) 0.0416(10) Uani 1 1 d . . .
H29A H -0.6073 0.0392 0.4600 0.062 Uiso 1 1 calc R . .
H29B H -0.6194 0.1486 0.5439 0.062 Uiso 1 1 calc R . .
H29C H -0.7242 0.1251 0.4414 0.062 Uiso 1 1 calc R . .
C30 C -0.8733(4) 0.0964(3) 0.5832(3) 0.0401(10) Uani 1 1 d . . .
H30A H -0.9324 0.0480 0.6090 0.060 Uiso 1 1 calc R . .
H30B H -0.9317 0.1306 0.5362 0.060 Uiso 1 1 calc R . .
H30C H -0.8257 0.1544 0.6382 0.060 Uiso 1 1 calc R . .
C31 C -0.7620(4) -0.0749(3) 0.5292(3) 0.0323(9) Uani 1 1 d . . .
H31A H -0.8261 -0.1079 0.5611 0.039 Uiso 1 1 calc R . .
C32 C -1.0629(5) -0.0097(4) 0.8084(3) 0.0450(11) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
N3 Ag1 N2 100.69(10) . . yes
N3 Ag1 P1 134.70(8) . . yes
N2 Ag1 P1 123.14(8) . . yes
C13 P1 C7 103.37(15) . . yes
C13 P1 C6 102.84(15) . . yes
C7 P1 C6 106.92(16) . . yes
C13 P1 Ag1 120.17(12) . . ?
C7 P1 Ag1 112.52(11) . . ?
C6 P1 Ag1 109.89(11) . . ?
O2 S1 O3 115.20(18) . . ?
O2 S1 O4 114.3(2) . . ?
O3 S1 O4 115.22(18) . . ?
O2 S1 C32 103.6(2) . . ?
O3 S1 C32 102.96(18) . . ?
O4 S1 C32 103.16(19) . . ?
C2 N1 C6 123.3(3) . . ?
C2 N1 H1A 118.3 . . ?
C6 N1 H1A 118.3 . . ?
C19 N2 C23 115.4(3) . . ?
C19 N2 Ag1 122.6(2) . . ?
C23 N2 Ag1 121.0(2) . . ?
C24 N3 C28 116.5(3) . . ?
C24 N3 Ag1 121.4(2) . . ?
C28 N3 Ag1 122.1(2) . . ?
C31 N4 C29 121.8(3) . . ?
C31 N4 C30 121.4(3) . . ?
C29 N4 C30 116.7(3) . . ?
C5 C1 C1 119.4(4) 2_466 2_466 ?
C5 C1 C2 121.4(3) 2_466 . ?
C1 C1 C2 119.2(4) 2_466 . ?
C3 C2 N1 121.1(3) . . ?
C3 C2 C1 119.5(3) . . ?
N1 C2 C1 119.4(3) . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 H3A 119.6 . . ?
C4 C3 H3A 119.6 . . ?
C5 C4 C3 120.8(3) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
C4 C5 C1 120.3(3) . 2_466 ?
C4 C5 H5A 119.9 . . ?
C1 C5 H5A 119.9 2_466 . ?
N1 C6 P1 111.7(2) . . ?
N1 C6 H6A 109.3 . . ?
P1 C6 H6A 109.3 . . ?
N1 C6 H6B 109.3 . . ?
P1 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C12 C7 C8 119.0(3) . . ?
C12 C7 P1 125.2(3) . . ?
C8 C7 P1 115.8(3) . . ?
C9 C8 C7 121.1(4) . . ?
C9 C8 H8A 119.5 . . ?
C7 C8 H8A 119.5 . . ?
C8 C9 C10 119.9(4) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C11 C10 C9 119.9(4) . . ?
C11 C10 H10A 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C10 C11 C12 120.6(4) . . ?
C10 C11 H11A 119.7 . . ?
C12 C11 H11A 119.7 . . ?
C7 C12 C11 119.4(4) . . ?
C7 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C14 C13 C18 118.8(3) . . ?
C14 C13 P1 121.7(3) . . ?
C18 C13 P1 119.4(3) . . ?
C15 C14 C13 121.0(3) . . ?
C15 C14 H14A 119.5 . . ?
C13 C14 H14A 119.5 . . ?
C14 C15 C16 119.7(4) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16A 120.1 . . ?
C15 C16 H16A 120.1 . . ?
C16 C17 C18 120.6(4) . . ?
C16 C17 H17A 119.7 . . ?
C18 C17 H17A 119.7 . . ?
C17 C18 C13 119.9(3) . . ?
C17 C18 H18A 120.0 . . ?
C13 C18 H18A 120.0 . . ?
N2 C19 C20 124.1(4) . . ?
N2 C19 H19A 117.9 . . ?
C20 C19 H19A 117.9 . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20A 119.8 . . ?
C19 C20 H20A 119.8 . . ?
C20 C21 C22 115.9(3) . . ?
C20 C21 C21 122.0(4) . 2_366 ?
C22 C21 C21 122.1(4) . 2_366 ?
C23 C22 C21 120.0(4) . . ?
C23 C22 H22A 120.0 . . ?
C21 C22 H22A 120.0 . . ?
N2 C23 C22 124.2(3) . . ?
N2 C23 H23A 117.9 . . ?
C22 C23 H23A 117.9 . . ?
N3 C24 C25 123.2(3) . . ?
N3 C24 H24A 118.4 . . ?
C25 C24 H24A 118.4 . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C25 C26 C27 115.9(3) . . ?
C25 C26 C26 122.2(4) . 2_477 ?
C27 C26 C26 121.9(4) . 2_477 ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
N3 C28 C27 123.3(3) . . ?
N3 C28 H28A 118.3 . . ?
C27 C28 H28A 118.3 . . ?
N4 C29 H29A 109.5 . . ?
N4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C30 H30A 109.5 . . ?
N4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O1 C31 N4 125.0(4) . . ?
O1 C31 H31A 117.5 . . ?
N4 C31 H31A 117.5 . . ?
F1 C32 F2 105.2(4) . . ?
F1 C32 F3 107.1(4) . . ?
F2 C32 F3 107.0(4) . . ?
F1 C32 S1 113.0(3) . . ?
F2 C32 S1 111.3(3) . . ?
F3 C32 S1 112.8(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
Ag1 N3 2.251(3) . yes
Ag1 N2 2.325(3) . yes
Ag1 P1 2.3684(9) . yes
P1 C13 1.822(3) . yes
P1 C7 1.824(3) . yes
P1 C6 1.856(3) . yes
S1 O2 1.422(3) . ?
S1 O3 1.429(3) . ?
S1 O4 1.434(3) . ?
S1 C32 1.802(4) . ?
F1 C32 1.314(5) . ?
F2 C32 1.323(5) . ?
F3 C32 1.336(5) . ?
O1 C31 1.232(4) . ?
N1 C2 1.384(4) . ?
N1 C6 1.434(4) . ?
N1 H1A 0.8800 . ?
N2 C19 1.321(5) . ?
N2 C23 1.341(5) . ?
N3 C24 1.324(5) . ?
N3 C28 1.338(5) . ?
N4 C31 1.314(4) . ?
N4 C29 1.445(5) . ?
N4 C30 1.451(5) . ?
C1 C5 1.420(4) 2_466 ?
C1 C1 1.427(6) 2_466 ?
C1 C2 1.431(5) . ?
C2 C3 1.384(4) . ?
C3 C4 1.411(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.371(5) . ?
C4 H4A 0.9500 . ?
C5 C1 1.420(4) 2_466 ?
C5 H5A 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.382(5) . ?
C7 C8 1.391(5) . ?
C8 C9 1.368(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.374(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.371(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.394(5) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.388(5) . ?
C13 C18 1.390(5) . ?
C14 C15 1.379(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.377(5) . ?
C16 H16A 0.9500 . ?
C17 C18 1.382(5) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C20 1.379(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.377(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.387(5) . ?
C21 C21 1.488(7) 2_366 ?
C22 C23 1.368(5) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.380(5) . ?
C24 H24A 0.9500 . ?
C25 C26 1.373(5) . ?
C25 H25A 0.9500 . ?
C26 C27 1.381(5) . ?
C26 C26 1.487(6) 2_477 ?
C27 C28 1.369(5) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9500 . ?
