#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/45/7004585.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_7004585
loop_
_publ_author_name
'Ejfler, Jolanta'
'Szafert, Sławomir'
'Mierzwicki, Krzysztof'
'Jerzykiewicz, Lucjan B.'
'Sobota, Piotr'
_publ_section_title
;
 Homo- and heteroleptic zinc aminophenolates as initiators for lactide
 polymerization
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              6556
_journal_page_last               6562
_journal_paper_doi               10.1039/b808882a
_journal_year                    2008
_chemical_formula_moiety         'C22 H37 N O'
_chemical_formula_sum            'C22 H37 N O'
_chemical_formula_weight         331.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                91.410(10)
_cell_angle_beta                 112.250(10)
_cell_angle_gamma                104.860(10)
_cell_formula_units_Z            2
_cell_length_a                   10.306(4)
_cell_length_b                   10.451(4)
_cell_length_c                   10.594(4)
_cell_measurement_reflns_used    4119
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      58
_cell_measurement_theta_min      3
_cell_volume                     1011.3(7)
_computing_cell_refinement       'Oxford Diffraion software, CrystAlis 1.171'
_computing_data_collection       'Oxford Diffraion software, CrystAlis 1.171'
_computing_data_reduction        'Oxford Diffraion software, CrystAlis 1.171'
_computing_molecular_graphics    'SHELXTL-NT V5.1, Bruker AXS 1999'
_computing_publication_material  'SHELXTL-NT V5.1, Bruker AXS 1999'
_computing_structure_refinement  'SHELXTL-NT V5.1, Bruker AXS 1999'
_computing_structure_solution    'SHELXTL-NT V5.1, Bruker AXS 1999'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Kuma KM-4 CCD kappa-axis diffractometer'
_diffrn_measurement_method       ω
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15002
_diffrn_reflns_theta_full        28.06
_diffrn_reflns_theta_max         28.06
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.9937
_exptl_absorpt_correction_T_min  0.9872
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Oxford Diffraion software, CrystAlis 1.171'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.168
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0482
_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)+(0.0539P)²+0.1909P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1157
_reflns_number_gt                3877
_reflns_number_total             4855
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b808882a.txt
_cod_data_source_block           aqq
_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 
;
_cod_database_code               7004585
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -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
N1 N 0.15150(11) 0.49245(10) 0.29192(10) 0.0158(2) Uani 1 1 d . . .
O1 O 0.37376(10) 0.53396(9) 0.21086(9) 0.0201(2) Uani 1 1 d . . .
HO1 H 0.2853(19) 0.5022(16) 0.2170(17) 0.030 Uiso 1 1 d . . .
C1 C 0.09400(15) 0.60830(13) 0.26442(14) 0.0214(3) Uani 1 1 d . . .
H1A H 0.1731 0.6874 0.2713 0.032 Uiso 1 1 calc R . .
H1B H 0.0541 0.6239 0.3320 0.032 Uiso 1 1 calc R . .
H1C H 0.0164 0.5909 0.1716 0.032 Uiso 1 1 calc R . .
C11 C 0.03977(13) 0.36373(12) 0.27511(12) 0.0157(3) Uani 1 1 d . . .
H11A H 0.0930 0.2941 0.2956 0.019 Uiso 1 1 calc R . .
C12 C -0.03781(14) 0.35703(12) 0.37411(13) 0.0169(3) Uani 1 1 d . . .
H12A H 0.0361 0.3783 0.4702 0.020 Uiso 1 1 calc R . .
H12B H -0.0923 0.4246 0.3578 0.020 Uiso 1 1 calc R . .
C13 C -0.14427(14) 0.21801(13) 0.35441(13) 0.0200(3) Uani 1 1 d . . .
H13A H -0.0887 0.1515 0.3797 0.024 Uiso 1 1 calc R . .
H13B H -0.1963 0.2180 0.4161 0.024 Uiso 1 1 calc R . .
C14 C -0.25558(14) 0.17852(14) 0.20531(14) 0.0225(3) Uani 1 1 d . . .
H14A H -0.3195 0.0866 0.1939 0.027 Uiso 1 1 calc R . .
H14B H -0.3180 0.2396 0.1828 0.027 Uiso 1 1 calc R . .
C15 C -0.17830(15) 0.18502(14) 0.10688(14) 0.0242(3) Uani 1 1 d . . .
H15A H -0.2522 0.1635 0.0108 0.029 Uiso 1 1 calc R . .
H15B H -0.1238 0.1174 0.1235 0.029 Uiso 1 1 calc R . .
C16 C -0.07195(14) 0.32386(14) 0.12609(13) 0.0217(3) Uani 1 1 d . . .
H16A H -0.0201 0.3236 0.0642 0.026 Uiso 1 1 calc R . .
H16B H -0.1276 0.3903 0.1007 0.026 Uiso 1 1 calc R . .
C21 C 0.40926(13) 0.62547(12) 0.43535(13) 0.0153(2) Uani 1 1 d . . .
C22 C 0.45721(13) 0.62480(12) 0.32737(12) 0.0148(2) Uani 1 1 d . . .
C23 C 0.59013(13) 0.71534(12) 0.33889(12) 0.0146(2) Uani 1 1 d . . .
C24 C 0.66798(13) 0.80765(12) 0.45905(12) 0.0143(2) Uani 1 1 d . . .
H24A H 0.7573 0.8698 0.4679 0.017 Uiso 1 1 calc R . .
C25 C 0.62159(13) 0.81347(12) 0.56682(12) 0.0149(2) Uani 1 1 d . . .
C26 C 0.49088(13) 0.71954(12) 0.55165(12) 0.0158(3) Uani 1 1 d . . .
H26A H 0.4569 0.7202 0.6233 0.019 Uiso 1 1 calc R . .
C27 C 0.27450(13) 0.51911(12) 0.42838(12) 0.0164(3) Uani 1 1 d . . .
H27A H 0.3005 0.4352 0.4510 0.020 Uiso 1 1 calc R . .
H27B H 0.2424 0.5477 0.4987 0.020 Uiso 1 1 calc R . .
C28 C 0.64510(13) 0.71291(12) 0.22262(12) 0.0163(3) Uani 1 1 d . . .
C29 C 0.70355(14) 0.91887(12) 0.69575(13) 0.0171(3) Uani 1 1 d . . .
C30 C 0.66079(15) 0.57357(13) 0.19283(14) 0.0221(3) Uani 1 1 d . . .
H30A H 0.5666 0.5059 0.1692 0.033 Uiso 1 1 calc R . .
H30B H 0.7347 0.5542 0.2747 0.033 Uiso 1 1 calc R . .
H30C H 0.6911 0.5722 0.1157 0.033 Uiso 1 1 calc R . .
C31 C 0.53602(15) 0.74720(14) 0.09152(13) 0.0215(3) Uani 1 1 d . . .
H31A H 0.5304 0.8377 0.1091 0.032 Uiso 1 1 calc R . .
H31B H 0.4391 0.6832 0.0654 0.032 Uiso 1 1 calc R . .
H31C H 0.5691 0.7425 0.0166 0.032 Uiso 1 1 calc R . .
C32 C 0.79532(14) 0.81432(14) 0.25940(14) 0.0213(3) Uani 1 1 d . . .
H32A H 0.7886 0.9047 0.2755 0.032 Uiso 1 1 calc R . .
H32B H 0.8265 0.8084 0.1833 0.032 Uiso 1 1 calc R . .
H32C H 0.8668 0.7947 0.3429 0.032 Uiso 1 1 calc R . .
C33 C 0.73760(15) 0.85018(14) 0.82651(13) 0.0230(3) Uani 1 1 d . . .
H33A H 0.8036 0.7967 0.8283 0.034 Uiso 1 1 calc R . .
H33B H 0.6464 0.7920 0.8265 0.034 Uiso 1 1 calc R . .
H33C H 0.7845 0.9182 0.9079 0.034 Uiso 1 1 calc R . .
C34 C 0.60609(15) 1.00809(14) 0.69737(14) 0.0239(3) Uani 1 1 d . . .
H34A H 0.5869 1.0546 0.6159 0.036 Uiso 1 1 calc R . .
H34B H 0.6561 1.0738 0.7807 0.036 Uiso 1 1 calc R . .
H34C H 0.5133 0.9526 0.6965 0.036 Uiso 1 1 calc R . .
C35 C 0.84789(14) 1.00922(13) 0.69838(14) 0.0216(3) Uani 1 1 d . . .
H35A H 0.8276 1.0583 0.6188 0.032 Uiso 1 1 calc R . .
H35B H 0.9108 0.9544 0.6946 0.032 Uiso 1 1 calc R . .
H35C H 0.8975 1.0727 0.7834 0.032 Uiso 1 1 calc R . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 N1 C27 110.58(10) . . ?
C1 N1 C11 114.73(10) . . ?
C27 N1 C11 111.58(10) . . ?
C22 O1 HO1 104.3(10) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C11 C16 111.37(10) . . ?
N1 C11 C12 115.18(10) . . ?
C16 C11 C12 110.59(11) . . ?
N1 C11 H11A 106.4 . . ?
C16 C11 H11A 106.4 . . ?
C12 C11 H11A 106.4 . . ?
C13 C12 C11 111.23(10) . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 110.98(11) . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C13 110.71(11) . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 111.36(11) . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15B 109.4 . . ?
C16 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C11 C16 C15 111.01(11) . . ?
C11 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
C11 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C26 C21 C22 119.52(11) . . ?
C26 C21 C27 120.13(11) . . ?
C22 C21 C27 120.25(11) . . ?
O1 C22 C21 119.23(11) . . ?
O1 C22 C23 120.18(11) . . ?
C21 C22 C23 120.58(11) . . ?
C24 C23 C22 117.21(11) . . ?
C24 C23 C28 121.92(11) . . ?
C22 C23 C28 120.86(11) . . ?
C25 C24 C23 123.70(11) . . ?
C25 C24 H24A 118.2 . . ?
C23 C24 H24A 118.2 . . ?
C26 C25 C24 116.80(11) . . ?
C26 C25 C29 119.52(11) . . ?
C24 C25 C29 123.64(11) . . ?
C21 C26 C25 122.14(11) . . ?
C21 C26 H26A 118.9 . . ?
C25 C26 H26A 118.9 . . ?
N1 C27 C21 113.14(10) . . ?
N1 C27 H27A 109.0 . . ?
C21 C27 H27A 109.0 . . ?
N1 C27 H27B 109.0 . . ?
C21 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C32 C28 C31 107.90(10) . . ?
C32 C28 C23 112.31(10) . . ?
C31 C28 C23 109.43(10) . . ?
C32 C28 C30 107.16(10) . . ?
C31 C28 C30 109.58(11) . . ?
C23 C28 C30 110.39(10) . . ?
C35 C29 C25 112.39(10) . . ?
C35 C29 C33 108.38(11) . . ?
C25 C29 C33 110.17(11) . . ?
C35 C29 C34 107.90(11) . . ?
C25 C29 C34 108.86(10) . . ?
C33 C29 C34 109.07(11) . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C32 H32A 109.5 . . ?
C28 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C28 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C29 C35 H35A 109.5 . . ?
C29 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C29 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
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
N1 C1 1.4686(17) . ?
N1 C27 1.4784(16) . ?
N1 C11 1.4851(16) . ?
O1 C22 1.3727(15) . ?
O1 HO1 0.915(18) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C11 C16 1.5286(18) . ?
C11 C12 1.5344(17) . ?
C11 H11A 1.0000 . ?
C12 C13 1.5337(18) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.5278(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.5267(19) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.5326(19) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C26 1.3869(18) . ?
C21 C22 1.4080(17) . ?
C21 C27 1.5155(17) . ?
C22 C23 1.4105(17) . ?
C23 C24 1.4015(17) . ?
C23 C28 1.5405(17) . ?
C24 C25 1.4002(17) . ?
C24 H24A 0.9500 . ?
C25 C26 1.3979(17) . ?
C25 C29 1.5387(17) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C32 1.5339(18) . ?
C28 C31 1.5394(18) . ?
C28 C30 1.5437(18) . ?
C29 C35 1.5336(18) . ?
C29 C33 1.5386(19) . ?
C29 C34 1.5399(18) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
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
C1 N1 C11 C16 63.84(13) . . . . ?
C27 N1 C11 C16 -169.40(10) . . . . ?
C1 N1 C11 C12 -63.11(14) . . . . ?
C27 N1 C11 C12 63.64(13) . . . . ?
N1 C11 C12 C13 -176.69(10) . . . . ?
C16 C11 C12 C13 55.96(14) . . . . ?
C11 C12 C13 C14 -56.22(14) . . . . ?
C12 C13 C14 C15 56.03(14) . . . . ?
C13 C14 C15 C16 -56.22(15) . . . . ?
N1 C11 C16 C15 174.76(10) . . . . ?
C12 C11 C16 C15 -55.82(14) . . . . ?
C14 C15 C16 C11 56.36(15) . . . . ?
C26 C21 C22 O1 -178.13(11) . . . . ?
C27 C21 C22 O1 5.54(17) . . . . ?
C26 C21 C22 C23 2.51(18) . . . . ?
C27 C21 C22 C23 -173.82(11) . . . . ?
O1 C22 C23 C24 178.38(10) . . . . ?
C21 C22 C23 C24 -2.26(17) . . . . ?
O1 C22 C23 C28 -0.85(17) . . . . ?
C21 C22 C23 C28 178.51(11) . . . . ?
C22 C23 C24 C25 0.56(18) . . . . ?
C28 C23 C24 C25 179.78(11) . . . . ?
C23 C24 C25 C26 0.88(18) . . . . ?
C23 C24 C25 C29 -177.14(11) . . . . ?
C22 C21 C26 C25 -1.01(18) . . . . ?
C27 C21 C26 C25 175.33(11) . . . . ?
C24 C25 C26 C21 -0.65(18) . . . . ?
C29 C25 C26 C21 177.45(11) . . . . ?
C1 N1 C27 C21 -67.86(13) . . . . ?
C11 N1 C27 C21 163.16(10) . . . . ?
C26 C21 C27 N1 139.61(12) . . . . ?
C22 C21 C27 N1 -44.08(15) . . . . ?
C24 C23 C28 C32 3.89(16) . . . . ?
C22 C23 C28 C32 -176.92(11) . . . . ?
C24 C23 C28 C31 -115.92(13) . . . . ?
C22 C23 C28 C31 63.28(15) . . . . ?
C24 C23 C28 C30 123.41(12) . . . . ?
C22 C23 C28 C30 -57.40(15) . . . . ?
C26 C25 C29 C35 177.32(11) . . . . ?
C24 C25 C29 C35 -4.72(17) . . . . ?
C26 C25 C29 C33 56.34(15) . . . . ?
C24 C25 C29 C33 -125.69(12) . . . . ?
C26 C25 C29 C34 -63.21(15) . . . . ?
C24 C25 C29 C34 114.76(13) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652675
