#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:32:20 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179534 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/03/4500303.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_4500303
loop_
_publ_author_name
'Su, Zhi'
'Fan, Jian'
'Chen, Min'
'Okamura, Taka-aki'
'Sun, Wei-Yin'
_publ_section_title
;
 Syntheses, Characterization, and Properties of Three-Dimensional Pillared
 Frameworks with Entanglement
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1159
_journal_paper_doi               10.1021/cg101365v
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C18 H14 Cd N4 O5'
_chemical_formula_sum            'C18 H14 Cd N4 O5'
_chemical_formula_weight         478.73
_chemical_name_systematic
; 
 ? 
;
_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'
_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                 99.822(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3889(10)
_cell_length_b                   16.1517(16)
_cell_length_c                   11.3055(11)
_cell_measurement_reflns_used    5196
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.22
_cell_volume                     1869.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9317
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    1.206
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.012
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3387
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0339
_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)+(0.0536P)²+0.2971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                3027
_reflns_number_total             3387
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101365v_si_002.cif
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4500303
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_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
Cd1 Cd 0.72916(2) -0.068250(13) -0.01835(2) 0.03094(11) Uani 1 1 d .
O1 O 0.7643(2) 0.06670(13) 0.0287(2) 0.0406(6) Uani 1 1 d .
O2 O 0.6259(3) 0.01174(15) 0.1322(3) 0.0514(7) Uani 1 1 d .
O3 O 0.6893(3) -0.0382(2) -0.2228(3) 0.0642(8) Uani 1 1 d .
O4 O 0.8782(3) -0.09029(19) -0.1468(3) 0.0568(7) Uani 1 1 d .
N1 N 1.1173(3) 0.38331(18) 0.3645(3) 0.0417(7) Uani 1 1 d .
N2 N 0.9477(3) 0.31149(18) 0.2780(3) 0.0422(7) Uani 1 1 d .
N3 N 0.4015(3) 0.32664(16) 0.4914(2) 0.0349(6) Uani 1 1 d .
N4 N 0.5326(3) 0.25336(16) 0.4011(3) 0.0363(6) Uani 1 1 d .
C1 C 0.7060(3) 0.14629(18) 0.1867(3) 0.0321(7) Uani 1 1 d .
C2 C 0.8145(3) 0.1965(2) 0.1908(3) 0.0357(7) Uani 1 1 d .
H2A H 0.8773 0.1841 0.1439 0.043 Uiso 1 1 calc R
C3 C 0.8291(3) 0.2652(2) 0.2647(3) 0.0368(7) Uani 1 1 d .
C4 C 0.7357(3) 0.2844(2) 0.3340(3) 0.0390(8) Uani 1 1 d .
H4A H 0.7453 0.3306 0.3837 0.047 Uiso 1 1 calc R
C5 C 0.6286(3) 0.23384(19) 0.3280(3) 0.0348(7) Uani 1 1 d .
C6 C 0.6123(3) 0.16421(19) 0.2564(3) 0.0350(7) Uani 1 1 d .
H6A H 0.5399 0.1301 0.2549 0.042 Uiso 1 1 calc R
C7 C 0.6966(3) 0.06979(18) 0.1108(3) 0.0338(7) Uani 1 1 d .
C8 C 1.0007(3) 0.3568(2) 0.3738(3) 0.0391(8) Uani 1 1 d .
H8A H 0.9594 0.3679 0.4388 0.047 Uiso 1 1 calc R
C9 C 1.1405(4) 0.3547(3) 0.2564(4) 0.0635(13) Uani 1 1 d .
H9A H 1.2165 0.3642 0.2254 0.076 Uiso 1 1 calc R
C10 C 1.0382(4) 0.3110(3) 0.2016(4) 0.0705(15) Uani 1 1 d .
H10A H 1.0297 0.2853 0.1270 0.085 Uiso 1 1 calc R
C11 C 0.4859(3) 0.32922(19) 0.4176(3) 0.0333(7) Uani 1 1 d .
H11A H 0.5102 0.3772 0.3815 0.040 Uiso 1 1 calc R
C12 C 0.3947(4) 0.2456(2) 0.5238(4) 0.0506(10) Uani 1 1 d .
H12A H 0.3424 0.2253 0.5763 0.061 Uiso 1 1 calc R
C13 C 0.4742(4) 0.1994(2) 0.4692(4) 0.0517(10) Uani 1 1 d .
H13A H 0.4870 0.1425 0.4759 0.062 Uiso 1 1 calc R
C14 C 0.8054(4) -0.0572(2) -0.2313(3) 0.0465(9) Uani 1 1 d .
C15 C 0.8536(4) -0.0358(3) -0.3436(4) 0.0585(11) Uani 1 1 d .
C16 C 0.7898(8) 0.0008(7) -0.4356(8) 0.074(3) Uani 0.50 1 d P
H16A H 0.7018 0.0121 -0.4372 0.089 Uiso 0.50 1 calc PR
C17 C 0.8484(8) 0.0253(7) -0.5368(7) 0.077(3) Uani 0.50 1 d P
H17A H 0.7930 0.0499 -0.6003 0.092 Uiso 0.50 1 calc PR
C18 C 0.9633(5) 0.0173(3) -0.5490(5) 0.0799(15) Uani 1 1 d .
C19 C 0.9810(5) -0.0398(3) -0.3479(5) 0.0702(13) Uani 1 1 d .
H33A H 1.0369 -0.0582 -0.2799 0.084 Uiso 1 1 calc R
O1W O 0.4635(5) 0.0417(3) 0.6532(5) 0.1280(17) 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'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle_site_symmetry_3
N3 Cd1 O1 141.41(9) 2_645 .
N3 Cd1 N1 89.86(10) 2_645 2_745
O1 Cd1 N1 95.00(10) . 2_745
N3 Cd1 O4 117.08(10) 2_645 .
O1 Cd1 O4 101.35(9) . .
N1 Cd1 O4 88.31(10) 2_745 .
N3 Cd1 O3 106.57(11) 2_645 .
O1 Cd1 O3 91.54(11) . .
N1 Cd1 O3 143.98(10) 2_745 .
O4 Cd1 O3 55.68(10) . .
N3 Cd1 O2 87.65(9) 2_645 .
O1 Cd1 O2 54.27(8) . .
N1 Cd1 O2 89.05(10) 2_745 .
O4 Cd1 O2 155.11(10) . .
O3 Cd1 O2 122.68(10) . .
N3 Cd1 C14 117.15(11) 2_645 .
O1 Cd1 C14 95.00(10) . .
N1 Cd1 C14 115.69(12) 2_745 .
O4 Cd1 C14 27.55(11) . .
O3 Cd1 C14 28.32(11) . .
O2 Cd1 C14 143.40(10) . .
N3 Cd1 C7 114.68(10) 2_645 .
O1 Cd1 C7 27.34(9) . .
N1 Cd1 C7 90.38(10) 2_745 .
O4 Cd1 C7 128.22(11) . .
O3 Cd1 C7 110.17(11) . .
O2 Cd1 C7 27.05(9) . .
C14 Cd1 C7 120.92(11) . .
C7 O1 Cd1 97.10(18) . .
C7 O2 Cd1 85.48(19) . .
C14 O3 Cd1 90.8(2) . .
C14 O4 Cd1 91.9(2) . .
C8 N1 C9 105.6(3) . .
C8 N1 Cd1 125.9(2) . 2_755
C9 N1 Cd1 126.1(2) . 2_755
C8 N2 C10 106.1(3) . .
C8 N2 C3 126.7(3) . .
C10 N2 C3 126.7(3) . .
C11 N3 C12 105.8(3) . .
C11 N3 Cd1 123.5(2) . 2_655
C12 N3 Cd1 129.4(2) . 2_655
C11 N4 C13 107.3(3) . .
C11 N4 C5 125.7(3) . .
C13 N4 C5 127.0(3) . .
C6 C1 C2 120.5(3) . .
C6 C1 C7 121.0(3) . .
C2 C1 C7 118.4(3) . .
C3 C2 C1 119.7(3) . .
C3 C2 H2A 120.1 . .
C1 C2 H2A 120.1 . .
C2 C3 C4 120.5(3) . .
C2 C3 N2 119.3(3) . .
C4 C3 N2 119.9(3) . .
C5 C4 C3 118.7(3) . .
C5 C4 H4A 120.6 . .
C3 C4 H4A 120.6 . .
C4 C5 C6 122.1(3) . .
C4 C5 N4 118.6(3) . .
C6 C5 N4 119.3(3) . .
C5 C6 C1 118.5(3) . .
C5 C6 H6A 120.8 . .
C1 C6 H6A 120.8 . .
O2 C7 O1 122.6(3) . .
O2 C7 C1 119.6(3) . .
O1 C7 C1 117.8(3) . .
O2 C7 Cd1 67.47(17) . .
O1 C7 Cd1 55.56(15) . .
C1 C7 Cd1 169.3(2) . .
N1 C8 N2 111.8(3) . .
N1 C8 H8A 124.1 . .
N2 C8 H8A 124.1 . .
C10 C9 N1 110.3(3) . .
C10 C9 H9A 124.9 . .
N1 C9 H9A 124.9 . .
C9 C10 N2 106.2(3) . .
C9 C10 H10A 126.9 . .
N2 C10 H10A 126.9 . .
N3 C11 N4 110.9(3) . .
N3 C11 H11A 124.6 . .
N4 C11 H11A 124.6 . .
C13 C12 N3 110.3(3) . .
C13 C12 H12A 124.9 . .
N3 C12 H12A 124.9 . .
C12 C13 N4 105.8(3) . .
C12 C13 H13A 127.1 . .
N4 C13 H13A 127.1 . .
O4 C14 O3 120.8(3) . .
O4 C14 C15 120.8(4) . .
O3 C14 C15 118.3(4) . .
O4 C14 Cd1 60.59(19) . .
O3 C14 Cd1 60.83(19) . .
C15 C14 Cd1 169.9(3) . .
C16 C15 C19 111.9(5) . .
C16 C15 C14 126.9(5) . .
C19 C15 C14 120.1(4) . .
C15 C16 C17 122.9(7) . .
C15 C16 H16A 118.6 . .
C17 C16 H16A 118.6 . .
C18 C17 C16 127.6(7) . .
C18 C17 H17A 116.2 . .
C16 C17 H17A 116.2 . .
C17 C18 C18 111.8(6) . 3_754
C17 C18 C19 126.8(6) . 3_754
C18 C18 C19 121.4(6) 3_754 3_754
C15 C19 C18 123.9(5) . 3_754
C15 C19 H33A 118.1 . .
C18 C19 H33A 118.1 3_754 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.227(3) 2_645
Cd1 O1 2.259(2) .
Cd1 N1 2.288(3) 2_745
Cd1 O4 2.324(3) .
Cd1 O3 2.328(3) .
Cd1 O2 2.518(2) .
Cd1 C14 2.666(4) .
Cd1 C7 2.717(3) .
O1 C7 1.258(4) .
O2 C7 1.240(4) .
O3 C14 1.265(5) .
O4 C14 1.234(5) .
N1 C8 1.306(4) .
N1 C9 1.366(5) .
N1 Cd1 2.288(3) 2_755
N2 C8 1.345(4) .
N2 C10 1.381(5) .
N2 C3 1.427(4) .
N3 C11 1.310(4) .
N3 C12 1.365(4) .
N3 Cd1 2.227(3) 2_655
N4 C11 1.343(4) .
N4 C13 1.371(4) .
N4 C5 1.434(4) .
C1 C6 1.383(4) .
C1 C2 1.383(4) .
C1 C7 1.498(4) .
C2 C3 1.381(4) .
C2 H2A 0.9300 .
C3 C4 1.383(4) .
C4 C5 1.372(4) .
C4 H4A 0.9300 .
C5 C6 1.379(4) .
C6 H6A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.337(5) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.339(5) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.483(5) .
C15 C16 1.278(10) .
C15 C19 1.334(6) .
C16 C17 1.440(11) .
C16 H16A 0.9300 .
C17 C18 1.232(9) .
C17 H17A 0.9300 .
C18 C18 1.354(11) 3_754
C18 C19 1.434(6) 3_754
C19 C18 1.434(6) 3_754
C19 H33A 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N3 Cd1 O1 C7 15.0(3) 2_645 .
N1 Cd1 O1 C7 -81.1(2) 2_745 .
O4 Cd1 O1 C7 -170.4(2) . .
O3 Cd1 O1 C7 134.4(2) . .
O2 Cd1 O1 C7 4.1(2) . .
C14 Cd1 O1 C7 162.5(2) . .
N3 Cd1 O2 C7 -177.4(2) 2_645 .
O1 Cd1 O2 C7 -4.1(2) . .
N1 Cd1 O2 C7 92.7(2) 2_745 .
O4 Cd1 O2 C7 8.8(4) . .
O3 Cd1 O2 C7 -69.2(2) . .
C14 Cd1 O2 C7 -42.1(3) . .
N3 Cd1 O3 C14 -116.8(2) 2_645 .
O1 Cd1 O3 C14 97.7(2) . .
N1 Cd1 O3 C14 -3.0(4) 2_745 .
O4 Cd1 O3 C14 -5.0(2) . .
O2 Cd1 O3 C14 145.1(2) . .
C7 Cd1 O3 C14 118.2(2) . .
N3 Cd1 O4 C14 97.3(3) 2_645 .
O1 Cd1 O4 C14 -78.9(3) . .
N1 Cd1 O4 C14 -173.7(3) 2_745 .
O3 Cd1 O4 C14 5.1(2) . .
O2 Cd1 O4 C14 -89.6(3) . .
C7 Cd1 O4 C14 -84.5(3) . .
C6 C1 C2 C3 -0.2(5) . .
C7 C1 C2 C3 -176.7(3) . .
C1 C2 C3 C4 -0.4(5) . .
C1 C2 C3 N2 173.3(3) . .
C8 N2 C3 C2 -152.4(4) . .
C10 N2 C3 C2 19.4(6) . .
C8 N2 C3 C4 21.5(6) . .
C10 N2 C3 C4 -166.8(4) . .
C2 C3 C4 C5 0.1(5) . .
N2 C3 C4 C5 -173.6(3) . .
C3 C4 C5 C6 0.8(5) . .
C3 C4 C5 N4 179.3(3) . .
C11 N4 C5 C4 43.2(5) . .
C13 N4 C5 C4 -135.0(4) . .
C11 N4 C5 C6 -138.3(3) . .
C13 N4 C5 C6 43.5(5) . .
C4 C5 C6 C1 -1.4(5) . .
N4 C5 C6 C1 -179.8(3) . .
C2 C1 C6 C5 1.1(5) . .
C7 C1 C6 C5 177.5(3) . .
Cd1 O2 C7 O1 7.2(3) . .
Cd1 O2 C7 C1 -171.0(3) . .
Cd1 O1 C7 O2 -8.1(4) . .
Cd1 O1 C7 C1 170.2(2) . .
C6 C1 C7 O2 -18.7(5) . .
C2 C1 C7 O2 157.8(3) . .
C6 C1 C7 O1 163.0(3) . .
C2 C1 C7 O1 -20.5(5) . .
C6 C1 C7 Cd1 -148.0(11) . .
C2 C1 C7 Cd1 28.6(14) . .
N3 Cd1 C7 O2 2.9(2) 2_645 .
O1 Cd1 C7 O2 172.7(3) . .
N1 Cd1 C7 O2 -87.2(2) 2_745 .
O4 Cd1 C7 O2 -175.3(2) . .
O3 Cd1 C7 O2 123.1(2) . .
C14 Cd1 C7 O2 152.2(2) . .
N3 Cd1 C7 O1 -169.8(2) 2_645 .
N1 Cd1 C7 O1 100.2(2) 2_745 .
O4 Cd1 C7 O1 12.0(3) . .
O3 Cd1 C7 O1 -49.6(2) . .
O2 Cd1 C7 O1 -172.7(3) . .
C14 Cd1 C7 O1 -20.4(3) . .
N3 Cd1 C7 C1 136.1(12) 2_645 .
O1 Cd1 C7 C1 -54.1(12) . .
N1 Cd1 C7 C1 46.1(12) 2_745 .
O4 Cd1 C7 C1 -42.1(13) . .
O3 Cd1 C7 C1 -103.7(12) . .
O2 Cd1 C7 C1 133.2(13) . .
C14 Cd1 C7 C1 -74.5(13) . .
C9 N1 C8 N2 0.8(4) . .
Cd1 N1 C8 N2 -162.5(2) 2_755 .
C10 N2 C8 N1 -1.1(5) . .
C3 N2 C8 N1 172.1(3) . .
C8 N1 C9 C10 -0.2(5) . .
Cd1 N1 C9 C10 163.0(3) 2_755 .
N1 C9 C10 N2 -0.4(6) . .
C8 N2 C10 C9 0.9(5) . .
C3 N2 C10 C9 -172.3(4) . .
C12 N3 C11 N4 0.3(4) . .
Cd1 N3 C11 N4 -167.8(2) 2_655 .
C13 N4 C11 N3 -0.1(4) . .
C5 N4 C11 N3 -178.6(3) . .
C11 N3 C12 C13 -0.4(5) . .
Cd1 N3 C12 C13 166.8(3) 2_655 .
N3 C12 C13 N4 0.3(5) . .
C11 N4 C13 C12 -0.1(4) . .
C5 N4 C13 C12 178.4(3) . .
Cd1 O4 C14 O3 -9.1(4) . .
Cd1 O4 C14 C15 168.4(4) . .
Cd1 O3 C14 O4 9.1(4) . .
Cd1 O3 C14 C15 -168.5(3) . .
N3 Cd1 C14 O4 -97.1(3) 2_645 .
O1 Cd1 C14 O4 105.0(2) . .
N1 Cd1 C14 O4 7.0(3) 2_745 .
O3 Cd1 C14 O4 -171.1(4) . .
O2 Cd1 C14 O4 135.1(2) . .
C7 Cd1 C14 O4 114.3(2) . .
N3 Cd1 C14 O3 74.0(3) 2_645 .
O1 Cd1 C14 O3 -83.9(2) . .
N1 Cd1 C14 O3 178.1(2) 2_745 .
O4 Cd1 C14 O3 171.1(4) . .
O2 Cd1 C14 O3 -53.8(3) . .
C7 Cd1 C14 O3 -74.7(3) . .
N3 Cd1 C14 C15 161.9(17) 2_645 .
O1 Cd1 C14 C15 4.0(18) . .
N1 Cd1 C14 C15 -94.0(18) 2_745 .
O4 Cd1 C14 C15 -101.0(18) . .
O3 Cd1 C14 C15 88.0(18) . .
O2 Cd1 C14 C15 34.1(19) . .
C7 Cd1 C14 C15 13.3(18) . .
O4 C14 C15 C16 -177.6(8) . .
O3 C14 C15 C16 0.0(10) . .
Cd1 C14 C15 C16 -82(2) . .
O4 C14 C15 C19 -10.6(7) . .
O3 C14 C15 C19 166.9(5) . .
Cd1 C14 C15 C19 84.5(18) . .
C19 C15 C16 C17 6.8(14) . .
C14 C15 C16 C17 174.6(8) . .
C15 C16 C17 C18 -2.0(19) . .
C16 C17 C18 C18 -1.4(16) . 3_754
C16 C17 C18 C19 177.9(9) . 3_754
C16 C15 C19 C18 -8.9(10) . 3_754
C14 C15 C19 C18 -177.7(5) . 3_754
