#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:07:10 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257943 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557411.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_1557411
loop_
_publ_author_name
'Payne, Jack'
'McKeown, Paul'
'Mahon, Mary F.'
'Emanuelsson, Emma A. C.'
'Jones, Matthew D.'
_publ_section_title
;
 Mono- and dimeric zinc(ii) complexes for PLA production and degradation
 into methyl lactate -- a chemical recycling method
;
_journal_issue                   13
_journal_name_full               'Polymer Chemistry'
_journal_page_first              2381
_journal_page_last               2389
_journal_paper_doi               10.1039/D0PY00192A
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C33 H24 Cl4 N2 O2 Zn'
_chemical_formula_weight         687.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-12-16 deposited with the CCDC.	2020-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                65.684(5)
_cell_angle_beta                 83.729(4)
_cell_angle_gamma                66.409(5)
_cell_formula_units_Z            2
_cell_length_a                   11.4229(6)
_cell_length_b                   11.7375(6)
_cell_length_c                   13.3309(6)
_cell_measurement_reflns_used    7059
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      72.7830
_cell_measurement_theta_min      4.4690
_cell_volume                     1489.37(16)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL-2016/6 (Sheldrick, 2016)
 Sheldrick GM (2008) Acta Crystallogr A64:112-122 and 
 C. B. Hübschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution
; 
 SHELXT
 Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9666
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.249
_diffrn_reflns_theta_min         3.646
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.725
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0330P)²+0.3802P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0679
_refine_ls_wR_factor_ref         0.0699
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5089
_reflns_number_total             5450
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0py00192a2.cif
_cod_data_source_block           '[Zn(2)2]'
_cod_depositor_comments
;Adding full bibliography for 1557407--1557412.cif.

 Adding full bibliography for 1557407--1557412.cif.
;
_cod_original_cell_volume        1489.37(15)
_cod_database_code               1557411
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.665
_oxdiff_exptl_absorpt_empirical_full_max 2.348
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.54180(2) 0.72294(2) 0.50588(2) 0.01731(7) Uani 1 1 d . . . . .
Cl1 Cl 0.14270(4) 0.89969(4) 0.65813(4) 0.02978(10) Uani 1 1 d . . . . .
O1 O 0.39071(10) 0.76873(11) 0.58558(10) 0.0207(2) Uani 1 1 d . . . . .
N1 N 0.60025(12) 0.52162(13) 0.57946(11) 0.0175(3) Uani 1 1 d . . . . .
C1 C 0.34782(15) 0.68025(16) 0.65560(13) 0.0178(3) Uani 1 1 d . . . . .
Cl2 Cl 0.17048(4) 0.39298(5) 0.89751(4) 0.03714(12) Uani 1 1 d . . . . .
O2 O 0.50589(11) 0.79511(11) 0.34894(9) 0.0207(2) Uani 1 1 d . . . . .
N2 N 0.64148(12) 0.83168(13) 0.50195(11) 0.0179(3) Uani 1 1 d . . . . .
C2 C 0.22940(15) 0.72550(16) 0.70220(14) 0.0205(3) Uani 1 1 d . . . . .
Cl3 Cl 0.37450(4) 0.89416(4) 0.13695(3) 0.02705(10) Uani 1 1 d . . . . .
C3 C 0.17701(16) 0.63975(18) 0.77674(14) 0.0244(3) Uani 1 1 d . . . . .
H3 H 0.098026 0.675236 0.806543 0.029 Uiso 1 1 calc R U . . .
Cl4 Cl 0.48110(5) 1.33425(4) 0.03835(4) 0.03694(12) Uani 1 1 d . . . . .
C4 C 0.24086(16) 0.50087(17) 0.80789(14) 0.0237(3) Uani 1 1 d . . . . .
C5 C 0.35525(16) 0.44947(16) 0.76610(14) 0.0222(3) Uani 1 1 d . . . . .
H5 H 0.397665 0.353990 0.788094 0.027 Uiso 1 1 calc R U . . .
C6 C 0.41136(15) 0.53623(16) 0.69065(13) 0.0187(3) Uani 1 1 d . . . . .
C7 C 0.53083(15) 0.46775(15) 0.65266(13) 0.0197(3) Uani 1 1 d . . . . .
H7 H 0.563246 0.371277 0.684871 0.024 Uiso 1 1 calc R U . . .
C8 C 0.71670(15) 0.43518(16) 0.55103(13) 0.0186(3) Uani 1 1 d . . . . .
C9 C 0.79712(17) 0.49630(18) 0.48642(15) 0.0272(4) Uani 1 1 d . . . . .
H9 H 0.773426 0.591178 0.463257 0.033 Uiso 1 1 calc R U . . .
C10 C 0.91143(18) 0.4198(2) 0.45565(17) 0.0337(4) Uani 1 1 d . . . . .
H10 H 0.965602 0.462391 0.411753 0.040 Uiso 1 1 calc R U . . .
C11 C 0.94638(17) 0.2820(2) 0.48882(17) 0.0326(4) Uani 1 1 d . . . . .
H11 H 1.024692 0.229261 0.468204 0.039 Uiso 1 1 calc R U . . .
C12 C 0.86599(17) 0.22115(18) 0.55266(16) 0.0290(4) Uani 1 1 d . . . . .
H12 H 0.890042 0.126278 0.575435 0.035 Uiso 1 1 calc R U . . .
C13 C 0.75146(16) 0.29626(17) 0.58367(14) 0.0239(3) Uani 1 1 d . . . . .
H13 H 0.697108 0.253445 0.626803 0.029 Uiso 1 1 calc R U . . .
C14 C 0.50870(14) 0.91207(15) 0.28130(13) 0.0180(3) Uani 1 1 d . . . . .
C15 C 0.45028(15) 0.97604(16) 0.17311(14) 0.0204(3) Uani 1 1 d . . . . .
C16 C 0.44290(16) 1.10168(17) 0.09837(14) 0.0235(3) Uani 1 1 d . . . . .
H16 H 0.401822 1.140691 0.026965 0.028 Uiso 1 1 calc R U . . .
C17 C 0.49705(16) 1.17114(17) 0.12941(14) 0.0249(3) Uani 1 1 d . . . . .
C18 C 0.55840(16) 1.11409(17) 0.23087(14) 0.0238(3) Uani 1 1 d . . . . .
H18 H 0.596606 1.161756 0.249782 0.029 Uiso 1 1 calc R U . . .
C19 C 0.56604(15) 0.98468(16) 0.30858(13) 0.0195(3) Uani 1 1 d . . . . .
C20 C 0.63226(15) 0.93831(16) 0.41240(14) 0.0206(3) Uani 1 1 d . . . . .
H20 H 0.674385 0.991867 0.416153 0.025 Uiso 1 1 calc R U . . .
C21 C 0.71084(14) 0.80389(17) 0.59864(13) 0.0192(3) Uani 1 1 d . . . . .
C22 C 0.73635(15) 0.90285(17) 0.61425(14) 0.0223(3) Uani 1 1 d . . . . .
H22 H 0.709838 0.992710 0.558719 0.027 Uiso 1 1 calc R U . . .
C23 C 0.80066(16) 0.86853(19) 0.71148(15) 0.0260(4) Uani 1 1 d . . . . .
H23 H 0.818496 0.935382 0.722056 0.031 Uiso 1 1 calc R U . . .
C24 C 0.83920(16) 0.7382(2) 0.79331(15) 0.0281(4) Uani 1 1 d . . . . .
H24 H 0.882390 0.716199 0.859880 0.034 Uiso 1 1 calc R U . . .
C25 C 0.81456(18) 0.63971(19) 0.77784(15) 0.0305(4) Uani 1 1 d . . . . .
H25 H 0.841637 0.549874 0.833465 0.037 Uiso 1 1 calc R U . . .
C26 C 0.75030(17) 0.67288(18) 0.68091(15) 0.0257(3) Uani 1 1 d . . . . .
H26 H 0.733076 0.605515 0.670620 0.031 Uiso 1 1 calc R U . . .
C27 C 0.1228(3) 0.1771(4) 0.7791(3) 0.0725(9) Uani 1 1 d . . . . .
H27A H 0.164903 0.080315 0.793617 0.109 Uiso 1 1 calc R U . . .
H27B H 0.186518 0.210078 0.786124 0.109 Uiso 1 1 calc R U . . .
H27C H 0.081790 0.228229 0.704134 0.109 Uiso 1 1 calc R U . . .
C28 C 0.0231(2) 0.1964(2) 0.86082(18) 0.0382(4) Uani 1 1 d . . . . .
C29 C 0.0560(2) 0.1354(2) 0.9728(2) 0.0424(5) Uani 1 1 d . . . . .
H29 H 0.143326 0.081366 0.998281 0.051 Uiso 1 1 calc R U . . .
C30 C -0.0350(3) 0.1514(3) 1.04823(19) 0.0482(5) Uani 1 1 d . . . . .
H30 H -0.009865 0.108829 1.124767 0.058 Uiso 1 1 calc R U . . .
C31 C -0.1616(2) 0.2283(3) 1.0134(2) 0.0522(6) Uani 1 1 d . . . . .
H31 H -0.224500 0.239357 1.065274 0.063 Uiso 1 1 calc R U . . .
C32 C -0.1962(2) 0.2892(3) 0.9026(2) 0.0529(6) Uani 1 1 d . . . . .
H32 H -0.283693 0.342304 0.877535 0.064 Uiso 1 1 calc R U . . .
C33 C -0.1044(3) 0.2737(2) 0.82702(19) 0.0474(5) Uani 1 1 d . . . . .
H33 H -0.129748 0.317177 0.750499 0.057 Uiso 1 1 calc R U . . .
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'
N N 0.0311 0.0180 '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'
Zn Zn -1.5491 0.6778 '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'
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
O2 Zn1 O1 113.43(5) . . ?
O2 Zn1 N1 113.55(5) . . ?
O1 Zn1 N1 97.91(5) . . ?
O2 Zn1 N2 97.07(5) . . ?
O1 Zn1 N2 109.35(5) . . ?
N1 Zn1 N2 126.19(5) . . ?
C1 O1 Zn1 124.11(10) . . ?
C7 N1 C8 119.76(13) . . ?
C7 N1 Zn1 119.60(11) . . ?
C8 N1 Zn1 120.63(10) . . ?
O1 C1 C2 119.72(14) . . ?
O1 C1 C6 124.87(14) . . ?
C2 C1 C6 115.41(14) . . ?
C14 O2 Zn1 122.62(10) . . ?
C20 N2 C21 119.23(13) . . ?
C20 N2 Zn1 118.71(11) . . ?
C21 N2 Zn1 121.70(10) . . ?
C3 C2 C1 123.76(15) . . ?
C3 C2 Cl1 118.20(13) . . ?
C1 C2 Cl1 117.99(12) . . ?
C2 C3 C4 119.13(15) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 120.55(15) . . ?
C5 C4 Cl2 120.44(13) . . ?
C3 C4 Cl2 118.97(13) . . ?
C4 C5 C6 120.99(15) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 120.15(14) . . ?
C5 C6 C7 114.72(14) . . ?
C1 C6 C7 125.10(14) . . ?
N1 C7 C6 128.12(14) . . ?
N1 C7 H7 115.9 . . ?
C6 C7 H7 115.9 . . ?
C13 C8 C9 119.33(15) . . ?
C13 C8 N1 123.56(14) . . ?
C9 C8 N1 117.10(14) . . ?
C10 C9 C8 120.64(16) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C11 C10 C9 120.02(17) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 119.41(16) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 121.20(17) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C8 119.40(16) . . ?
C12 C13 H13 120.3 . . ?
C8 C13 H13 120.3 . . ?
O2 C14 C15 119.78(14) . . ?
O2 C14 C19 124.57(14) . . ?
C15 C14 C19 115.64(14) . . ?
C16 C15 C14 123.88(15) . . ?
C16 C15 Cl3 118.49(13) . . ?
C14 C15 Cl3 117.49(12) . . ?
C15 C16 C17 118.67(16) . . ?
C15 C16 H16 120.7 . . ?
C17 C16 H16 120.7 . . ?
C18 C17 C16 120.73(15) . . ?
C18 C17 Cl4 119.99(14) . . ?
C16 C17 Cl4 119.24(13) . . ?
C17 C18 C19 120.90(16) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C14 120.12(15) . . ?
C18 C19 C20 114.65(15) . . ?
C14 C19 C20 125.22(14) . . ?
N2 C20 C19 127.77(15) . . ?
N2 C20 H20 116.1 . . ?
C19 C20 H20 116.1 . . ?
C26 C21 C22 119.48(16) . . ?
C26 C21 N2 117.42(15) . . ?
C22 C21 N2 123.07(15) . . ?
C23 C22 C21 119.42(16) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C22 120.89(16) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 119.81(16) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C26 C25 C24 119.80(17) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C21 120.60(16) . . ?
C25 C26 H26 119.7 . . ?
C21 C26 H26 119.7 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 117.6(2) . . ?
C33 C28 C27 121.3(2) . . ?
C29 C28 C27 121.1(2) . . ?
C30 C29 C28 121.4(2) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C31 C30 C29 120.3(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 119.1(2) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C31 C32 C33 120.4(2) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C28 C33 C32 121.1(2) . . ?
C28 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
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
Zn1 O2 1.9269(11) . ?
Zn1 O1 1.9297(11) . ?
Zn1 N1 1.9907(13) . ?
Zn1 N2 2.0058(13) . ?
Cl1 C2 1.7388(16) . ?
O1 C1 1.3035(19) . ?
N1 C7 1.306(2) . ?
N1 C8 1.438(2) . ?
C1 C2 1.418(2) . ?
C1 C6 1.430(2) . ?
Cl2 C4 1.7426(16) . ?
O2 C14 1.3070(19) . ?
N2 C20 1.302(2) . ?
N2 C21 1.437(2) . ?
C2 C3 1.374(2) . ?
Cl3 C15 1.7447(16) . ?
C3 C4 1.385(2) . ?
C3 H3 0.9500 . ?
Cl4 C17 1.7400(16) . ?
C4 C5 1.367(2) . ?
C5 C6 1.413(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.439(2) . ?
C7 H7 0.9500 . ?
C8 C13 1.393(2) . ?
C8 C9 1.395(2) . ?
C9 C10 1.388(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.385(2) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.416(2) . ?
C14 C19 1.429(2) . ?
C15 C16 1.372(2) . ?
C16 C17 1.399(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.362(3) . ?
C18 C19 1.416(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.436(2) . ?
C20 H20 0.9500 . ?
C21 C26 1.391(2) . ?
C21 C22 1.400(2) . ?
C22 C23 1.387(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.504(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C33 1.377(3) . ?
C28 C29 1.381(3) . ?
C29 C30 1.378(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.371(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.372(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.384(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
