#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/27/2202737.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_2202737
loop_
_publ_author_name
'Yung-Chan Lin'
'Jian-Cheng Liou'
'Tian-Huey Lu'
'Fen-Ling Liao'
'Chung-Sun Chung'
_publ_section_title
;
 5,10,15,20-Tetrakis[(4-ethylcarbonyl)oxy]phenylporphyrin
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o969
_journal_page_last               o971
_journal_paper_doi               10.1107/S1600536803011978
_journal_volume                  59
_journal_year                    2003
_chemical_formula_moiety         'C56 H46 N4 O8'
_chemical_formula_sum            'C56 H46 N4 O8'
_chemical_formula_weight         902.97
_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                 104.187(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4045(10)
_cell_length_b                   10.9423(11)
_cell_length_c                   23.4260(19)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      1.79
_cell_volume                     2337.2(4)
_computing_cell_refinement       'Bruker (1998) SMART'
_computing_data_collection       'Bruker (1998) SMART'
_computing_data_reduction        'Bruker (2000) SAINT'
_computing_molecular_graphics    'NRCVAX (Gabe et al., 1989)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.3854
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14839
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.9900
_exptl_absorpt_correction_T_min  0.9685
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pillar
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.263
_refine_diff_density_min         -0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.801
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         5626
_refine_ls_number_restraints     318
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.2557
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0490P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1526
_refine_ls_wR_factor_ref         0.1608
_reflns_number_gt                928
_reflns_number_total             5626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            na6237.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2202737
_cod_database_fobs_code          2202737
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
N1 0.4521(4) 0.1475(3) 0.04429(15) 0.0797(10) Uani d U 1 . . N
N2 0.3839(5) 0.0737(4) -0.07914(19) 0.0844(10) Uani d DU 1 . . N
O1 0.0224(4) 0.7161(3) -0.10525(16) 0.1313(11) Uani d DU 1 . . O
O2 -0.0466(5) 0.6733(3) -0.19746(18) 0.1795(18) Uani d U 1 . . O
O3 0.7002(4) 0.2078(4) 0.38940(17) 0.1551(13) Uani d DU 1 . . O
O4 0.7145(6) 0.4020(4) 0.37414(18) 0.1947(19) Uani d U 1 . . O
C1 0.4916(5) 0.1678(4) 0.1051(2) 0.0837(11) Uani d U 1 . . C
C2 0.4308(5) 0.2814(4) 0.1192(2) 0.0910(12) Uani d U 1 . . C
H2A 0.4396 0.3136 0.1567 0.109 Uiso calc R 1 . . H
C3 0.3587(5) 0.3319(4) 0.0680(2) 0.0888(12) Uani d U 1 . . C
H3 0.3102 0.4067 0.0635 0.107 Uiso calc R 1 . . H
C4 0.3704(5) 0.2483(4) 0.0205(2) 0.0814(11) Uani d U 1 . . C
C5 0.3073(5) 0.2665(4) -0.0379(2) 0.0825(10) Uani d U 1 . . C
C6 0.3117(5) 0.1861(4) -0.0826(2) 0.0830(11) Uani d U 1 . . C
C7 0.2453(5) 0.2010(4) -0.14587(19) 0.0955(13) Uani d U 1 . . C
H7 0.1906 0.2682 -0.1629 0.115 Uiso calc R 1 . . H
C8 0.2757(5) 0.1031(4) -0.1753(2) 0.0973(13) Uani d U 1 . . C
H8 0.2436 0.0908 -0.2157 0.117 Uiso calc R 1 . . H
C9 0.3649(5) 0.0213(4) -0.1347(2) 0.0881(12) Uani d U 1 . . C
C10 0.2323(6) 0.3847(4) -0.0569(2) 0.0902(12) Uani d U 1 . . C
C11 0.3070(6) 0.4849(4) -0.0657(2) 0.1014(13) Uani d U 1 . . C
H11 0.4086 0.4815 -0.0590 0.122 Uiso calc R 1 . . H
C12 0.2347(6) 0.5925(4) -0.0844(2) 0.1099(13) Uani d U 1 . . C
H12 0.2886 0.6596 -0.0915 0.132 Uiso calc R 1 . . H
C13 0.0874(7) 0.6037(4) -0.0929(2) 0.1098(13) Uani d DU 1 . . C
C14 0.0099(6) 0.5038(5) -0.0853(2) 0.1195(13) Uani d U 1 . . C
H14 -0.0917 0.5080 -0.0924 0.143 Uiso calc R 1 . . H
C15 0.0827(6) 0.3939(4) -0.0665(2) 0.1103(13) Uani d U 1 . . C
H15 0.0288 0.3261 -0.0604 0.132 Uiso calc R 1 . . H
C16 -0.0449(7) 0.7466(6) -0.1619(3) 0.1470(17) Uani d DU 1 . . C
C17 -0.0982(7) 0.8742(5) -0.1654(3) 0.1648(19) Uani d U 1 . . C
H17A -0.0286 0.9241 -0.1376 0.198 Uiso calc R 1 . . H
H17B -0.1911 0.8770 -0.1544 0.198 Uiso calc R 1 . . H
C18 -0.1181(8) 0.9264(6) -0.2271(3) 0.240(3) Uani d U 1 . . C
H18A -0.1535 1.0088 -0.2280 0.359 Uiso calc R 1 . . H
H18B -0.1876 0.8776 -0.2546 0.359 Uiso calc R 1 . . H
H18C -0.0257 0.9257 -0.2377 0.359 Uiso calc R 1 . . H
C19 0.5777(5) 0.0892(4) 0.1465(2) 0.0859(11) Uani d U 1 . . C
C20 0.6120(6) 0.1265(4) 0.2090(2) 0.1020(12) Uani d U 1 . . C
C21 0.7268(6) 0.1993(5) 0.2331(2) 0.1238(14) Uani d U 1 . . C
H21 0.7881 0.2263 0.2100 0.149 Uiso calc R 1 . . H
C22 0.7554(6) 0.2351(5) 0.2923(2) 0.1365(15) Uani d U 1 . . C
H22 0.8324 0.2887 0.3069 0.164 Uiso calc R 1 . . H
C23 0.6740(8) 0.1939(6) 0.3292(2) 0.1360(14) Uani d DU 1 . . C
C24 0.5582(6) 0.1157(5) 0.3049(2) 0.1256(14) Uani d U 1 . . C
H24 0.5005 0.0851 0.3286 0.151 Uiso calc R 1 . . H
C25 0.5271(6) 0.0824(4) 0.2458(2) 0.1164(13) Uani d U 1 . . C
H25 0.4490 0.0301 0.2306 0.140 Uiso calc R 1 . . H
C26 0.7346(8) 0.3237(6) 0.4075(2) 0.1565(18) Uani d DU 1 . . C
C27 0.7571(7) 0.3233(5) 0.4723(2) 0.1578(19) Uani d DU 1 . . C
H27A 0.6646 0.3326 0.4832 0.189 Uiso calc R 1 . . H
H27B 0.8035 0.2481 0.4892 0.189 Uiso calc R 1 . . H
C28 0.8536(8) 0.4293(5) 0.4922(3) 0.243(3) Uani d DU 1 . . C
H28A 0.8712 0.4373 0.5341 0.365 Uiso calc R 1 . . H
H28B 0.8073 0.5021 0.4736 0.365 Uiso calc R 1 . . H
H28C 0.9452 0.4173 0.4817 0.365 Uiso calc R 1 . . H
H2 0.426(4) 0.038(3) -0.0437(12) 0.119(18) Uiso d D 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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
C4 N1 C1 . 105.5(4) y
C9 N2 C6 . 111.0(4) y
C9 N2 H2 . 127(3) y
C6 N2 H2 . 122(3) y
C16 O1 C13 . 120.1(5) ?
C26 O3 C23 . 113.2(5) ?
C19 C1 N1 . 125.0(4) ?
C19 C1 C2 . 124.6(5) ?
N1 C1 C2 . 110.4(4) ?
C3 C2 C1 . 107.0(4) ?
C3 C2 H2A . 126.5 ?
C1 C2 H2A . 126.5 ?
C2 C3 C4 . 107.8(4) ?
C2 C3 H3 . 126.1 ?
C4 C3 H3 . 126.1 ?
C5 C4 N1 . 125.6(5) ?
C5 C4 C3 . 125.0(5) ?
N1 C4 C3 . 109.3(4) ?
C4 C5 C6 . 125.6(5) ?
C4 C5 C10 . 118.9(5) ?
C6 C5 C10 . 115.3(4) ?
C5 C6 N2 . 128.5(4) ?
C5 C6 C7 . 127.8(4) ?
N2 C6 C7 . 103.7(4) ?
C8 C7 C6 . 109.8(4) ?
C8 C7 H7 . 125.1 ?
C6 C7 H7 . 125.1 ?
C7 C8 C9 . 108.8(5) ?
C7 C8 H8 . 125.6 ?
C9 C8 H8 . 125.6 ?
C19 C9 N2 3_655 125.5(5) ?
C19 C9 C8 3_655 127.9(5) ?
N2 C9 C8 . 106.6(4) ?
C11 C10 C15 . 117.9(5) ?
C11 C10 C5 . 121.8(5) ?
C15 C10 C5 . 120.3(5) ?
C10 C11 C12 . 120.7(5) ?
C10 C11 H11 . 119.7 ?
C12 C11 H11 . 119.7 ?
C13 C12 C11 . 122.1(5) ?
C13 C12 H12 . 119.0 ?
C11 C12 H12 . 119.0 ?
C14 C13 C12 . 118.3(5) ?
C14 C13 O1 . 121.7(6) ?
C12 C13 O1 . 119.9(6) ?
C13 C14 C15 . 119.9(5) ?
C13 C14 H14 . 120.0 ?
C15 C14 H14 . 120.0 ?
C10 C15 C14 . 121.2(5) ?
C10 C15 H15 . 119.4 ?
C14 C15 H15 . 119.4 ?
O2 C16 O1 . 117.0(6) ?
O2 C16 C17 . 132.2(6) ?
O1 C16 C17 . 110.8(6) ?
C16 C17 C18 . 111.6(5) ?
C16 C17 H17A . 109.3 ?
C18 C17 H17A . 109.3 ?
C16 C17 H17B . 109.3 ?
C18 C17 H17B . 109.3 ?
H17A C17 H17B . 108.0 ?
C17 C18 H18A . 109.5 ?
C17 C18 H18B . 109.5 ?
H18A C18 H18B . 109.5 ?
C17 C18 H18C . 109.5 ?
H18A C18 H18C . 109.5 ?
H18B C18 H18C . 109.5 ?
C9 C19 C1 3_655 126.2(5) ?
C9 C19 C20 3_655 116.0(5) ?
C1 C19 C20 . 117.8(4) ?
C21 C20 C25 . 117.8(5) ?
C21 C20 C19 . 122.4(5) ?
C25 C20 C19 . 119.8(5) ?
C20 C21 C22 . 121.2(6) ?
C20 C21 H21 . 119.4 ?
C22 C21 H21 . 119.4 ?
C23 C22 C21 . 122.3(6) ?
C23 C22 H22 . 118.9 ?
C21 C22 H22 . 118.9 ?
C22 C23 O3 . 128.6(7) ?
C22 C23 C24 . 116.5(5) ?
O3 C23 C24 . 114.4(6) ?
C25 C24 C23 . 121.4(5) ?
C25 C24 H24 . 119.3 ?
C23 C24 H24 . 119.3 ?
C24 C25 C20 . 120.7(5) ?
C24 C25 H25 . 119.7 ?
C20 C25 H25 . 119.7 ?
O4 C26 O3 . 120.1(5) ?
O4 C26 C27 . 131.4(6) ?
O3 C26 C27 . 106.4(5) ?
C28 C27 C26 . 104.1(5) ?
C28 C27 H27A . 110.9 ?
C26 C27 H27A . 110.9 ?
C28 C27 H27B . 110.9 ?
C26 C27 H27B . 110.9 ?
H27A C27 H27B . 109.0 ?
C27 C28 H28A . 109.5 ?
C27 C28 H28B . 109.5 ?
H28A C28 H28B . 109.5 ?
C27 C28 H28C . 109.5 ?
H28A C28 H28C . 109.5 ?
H28B C28 H28C . 109.5 ?
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
N1 C4 . 1.381(5) y
N1 C1 . 1.399(5) y
N2 C9 . 1.393(5) y
N2 C6 . 1.398(5) y
N2 H2 . 0.92(2) y
O1 C16 . 1.363(4) ?
O1 C13 . 1.373(3) ?
O2 C16 . 1.154(6) ?
O3 C26 . 1.352(4) ?
O3 C23 . 1.378(4) ?
O4 C26 . 1.143(6) ?
C1 C19 . 1.396(5) ?
C1 C2 . 1.440(5) ?
C2 C3 . 1.344(5) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.465(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.366(5) ?
C5 C6 . 1.376(5) ?
C5 C10 . 1.488(5) ?
C6 C7 . 1.470(5) ?
C7 C8 . 1.343(5) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.421(5) ?
C8 H8 . 0.9300 ?
C9 C19 3_655 1.379(5) ?
C10 C11 . 1.346(5) ?
C10 C15 . 1.373(6) ?
C11 C12 . 1.376(5) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.356(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.350(6) ?
C14 C15 . 1.400(5) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 C17 . 1.478(7) ?
C17 C18 . 1.524(6) ?
C17 H17A . 0.9700 ?
C17 H17B . 0.9700 ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
C19 C9 3_655 1.379(5) ?
C19 C20 . 1.479(6) ?
C20 C21 . 1.349(6) ?
C20 C25 . 1.397(6) ?
C21 C22 . 1.401(6) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.364(6) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.392(7) ?
C24 C25 . 1.391(6) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
C26 C27 . 1.481(3) ?
C27 C28 . 1.476(9) ?
C27 H27A . 0.9700 ?
C27 H27B . 0.9700 ?
C28 H28A . 0.9600 ?
C28 H28B . 0.9600 ?
C28 H28C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N2 H2 N1 . 0.92(3) 2.34(3) 2.918(6) 121(3) y
N2 H2 N1 3_655 0.92(3) 2.33(3) 2.879(6) 118(3) y
C8 H8 O2 2_544 0.93 2.56 3.312(6) 139 y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C4 N1 C1 C19 . . -178.9(4)
C4 N1 C1 C2 . . 1.3(5)
C19 C1 C2 C3 . . 178.4(4)
N1 C1 C2 C3 . . -1.8(5)
C1 C2 C3 C4 . . 1.5(5)
C1 N1 C4 C5 . . -179.1(4)
C1 N1 C4 C3 . . -0.4(5)
C2 C3 C4 C5 . . 178.0(4)
C2 C3 C4 N1 . . -0.7(5)
N1 C4 C5 C6 . . 1.7(8)
C3 C4 C5 C6 . . -176.8(4)
N1 C4 C5 C10 . . -175.3(4)
C3 C4 C5 C10 . . 6.2(7)
C4 C5 C6 N2 . . -2.8(8)
C10 C5 C6 N2 . . 174.3(4)
C4 C5 C6 C7 . . 179.7(4)
C10 C5 C6 C7 . . -3.2(7)
C9 N2 C6 C5 . . -178.3(4)
C9 N2 C6 C7 . . -0.4(5)
C5 C6 C7 C8 . . 179.2(4)
N2 C6 C7 C8 . . 1.2(5)
C6 C7 C8 C9 . . -1.6(6)
C6 N2 C9 C19 . 3_655 179.8(4)
C6 N2 C9 C8 . . -0.5(5)
C7 C8 C9 C19 . 3_655 -179.1(5)
C7 C8 C9 N2 . . 1.3(6)
C4 C5 C10 C11 . . 82.5(6)
C6 C5 C10 C11 . . -94.8(6)
C4 C5 C10 C15 . . -98.1(6)
C6 C5 C10 C15 . . 84.6(6)
C15 C10 C11 C12 . . -0.8(7)
C5 C10 C11 C12 . . 178.6(4)
C10 C11 C12 C13 . . 2.3(8)
C11 C12 C13 C14 . . -3.2(8)
C11 C12 C13 O1 . . 172.7(4)
C16 O1 C13 C14 . . -84.3(7)
C16 O1 C13 C12 . . 99.9(7)
C12 C13 C14 C15 . . 2.8(8)
O1 C13 C14 C15 . . -173.0(4)
C11 C10 C15 C14 . . 0.5(7)
C5 C10 C15 C14 . . -179.0(4)
C13 C14 C15 C10 . . -1.5(8)
C13 O1 C16 O2 . . 1.7(10)
C13 O1 C16 C17 . . -176.1(5)
O2 C16 C17 C18 . . -19.6(12)
O1 C16 C17 C18 . . 157.7(6)
N1 C1 C19 C9 . 3_655 -1.3(8)
C2 C1 C19 C9 . 3_655 178.5(4)
N1 C1 C19 C20 . . 178.5(4)
C2 C1 C19 C20 . . -1.7(7)
C9 C19 C20 C21 3_655 . 94.0(6)
C1 C19 C20 C21 . . -85.8(6)
C9 C19 C20 C25 3_655 . -83.6(6)
C1 C19 C20 C25 . . 96.6(6)
C25 C20 C21 C22 . . -3.4(8)
C19 C20 C21 C22 . . 178.9(5)
C20 C21 C22 C23 . . 3.3(9)
C21 C22 C23 O3 . . 170.7(5)
C21 C22 C23 C24 . . -1.2(9)
C26 O3 C23 C22 . . 47.5(9)
C26 O3 C23 C24 . . -140.5(6)
C22 C23 C24 C25 . . -0.4(9)
O3 C23 C24 C25 . . -173.5(4)
C23 C24 C25 C20 . . 0.1(8)
C21 C20 C25 C24 . . 1.8(8)
C19 C20 C25 C24 . . 179.5(5)
C23 O3 C26 O4 . . 13.9(11)
C23 O3 C26 C27 . . 179.2(5)
O4 C26 C27 C28 . . -41.2(12)
O3 C26 C27 C28 . . 155.8(6)
