# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_lizhang20191127_0m
_database_code_depnum_ccdc_archive 'CCDC 2212985'
loop_
_audit_author_name
_audit_author_address
'Shengsheng Qi'
;Inner Mongolia University
China
;
_audit_update_record             
;
2022-10-14 deposited with the CCDC.	2023-03-08 downloaded from the CCDC.
;
_audit_creation_date             2019-12-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H19 N4 O4 Zn'
_chemical_formula_sum            'C32 H19 N4 O4 Zn'
_chemical_formula_weight         588.88
_chemical_melting_point          ?
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4776(4)
_cell_length_b                   11.3099(4)
_cell_length_c                   11.4836(4)
_cell_angle_alpha                75.2050(10)
_cell_angle_beta                 73.4410(10)
_cell_angle_gamma                73.7360(10)
_cell_volume                     1229.18(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8227
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.334
_cell_measurement_theta_min      2.414
_shelx_estimated_absorpt_T_max   0.902
_shelx_estimated_absorpt_T_min   0.730
_exptl_absorpt_coefficient_mu    1.049
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17270
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.335
_diffrn_reflns_theta_min         1.885
_diffrn_ambient_temperature      273.15
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5333
_reflns_number_total             6066
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6066
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.037
_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)+(0.0416P)²+0.1837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0734
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C12(H12), C3(H3), C6(H6), C24(H24), C2(H2), C30(H30), C14(H14),
 C5(H5), C27(H27), C17(H17), C19(H19), C22(H22), C29(H29), C20(H20), C21(H21),
 C28(H28), C15(H15), C16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.13142(2) 0.87569(2) 0.21910(2) 0.02937(6) Uani 1 1 d . . . . .
N1 N 0.95822(11) 0.01351(10) 0.18500(10) 0.0261(2) Uani 1 1 d . . . . .
O1 O 0.27666(11) 0.73358(10) 0.17249(12) 0.0444(3) Uani 1 1 d . . . . .
O2 O 0.14882(11) 0.60527(11) 0.17345(12) 0.0447(3) Uani 1 1 d . . . . .
O3 O 0.20752(12) 0.93765(10) 0.32447(11) 0.0420(3) Uani 1 1 d . . . . .
N2 N 1.20407(12) 0.01091(11) 0.04782(11) 0.0314(3) Uani 1 1 d . . . . .
O4 O 0.38709(13) 0.94857(12) 0.38261(14) 0.0557(3) Uani 1 1 d . . . . .
N3 N 0.95995(12) -0.19619(11) 0.34604(11) 0.0305(2) Uani 1 1 d . . . . .
N4 N 0.33206(13) 0.51305(11) 0.59760(12) 0.0334(3) Uani 1 1 d . . . . .
C10 C 0.97110(13) 0.11917(12) 0.10193(12) 0.0260(3) Uani 1 1 d . . . . .
C13 C 1.11084(14) 0.11741(13) 0.02289(13) 0.0278(3) Uani 1 1 d . . . . .
C11 C 0.83684(14) 0.00416(12) 0.26175(12) 0.0274(3) Uani 1 1 d . . . . .
C32 C 0.30204(15) 0.89340(13) 0.38383(13) 0.0311(3) Uani 1 1 d . . . . .
C4 C 0.61327(14) 0.31997(13) 0.16758(13) 0.0302(3) Uani 1 1 d . . . . .
C1 C 0.38463(14) 0.52084(13) 0.16764(12) 0.0296(3) Uani 1 1 d . . . . .
C9 C 0.86088(14) 0.22068(12) 0.09235(13) 0.0294(3) Uani 1 1 d . . . . .
H9 H 0.871574 0.292807 0.033132 0.035 Uiso 1 1 calc R . . . .
C31 C 0.19619(14) 0.72866(13) 0.55686(13) 0.0292(3) Uani 1 1 d . . . . .
C8 C 0.73391(14) 0.21341(13) 0.17247(13) 0.0292(3) Uani 1 1 d . . . . .
C23 C 0.30802(14) 0.76188(13) 0.46181(13) 0.0297(3) Uani 1 1 d . . . . .
C12 C 0.72278(14) 0.10212(13) 0.25865(13) 0.0321(3) Uani 1 1 d . . . . .
H12 H 0.639648 0.093988 0.313316 0.039 Uiso 1 1 calc R . . . .
C3 C 0.62831(15) 0.44374(13) 0.13853(14) 0.0337(3) Uani 1 1 d . . . . .
H3 H 0.715155 0.459851 0.117648 0.040 Uiso 1 1 calc R . . . .
C7 C 0.25821(15) 0.62663(13) 0.17142(13) 0.0328(3) Uani 1 1 d . . . . .
C18 C 0.83610(14) -0.11826(12) 0.34842(13) 0.0282(3) Uani 1 1 d . . . . .
C6 C 0.37002(15) 0.39758(14) 0.19294(15) 0.0368(3) Uani 1 1 d . . . . .
H6 H 0.283538 0.381773 0.209251 0.044 Uiso 1 1 calc R . . . .
C26 C 0.21351(14) 0.60163(13) 0.62156(14) 0.0312(3) Uani 1 1 d . . . . .
C24 C 0.42676(15) 0.67199(14) 0.44085(14) 0.0337(3) Uani 1 1 d . . . . .
H24 H 0.502070 0.692228 0.380384 0.040 Uiso 1 1 calc R . . . .
C2 C 0.51429(15) 0.54310(13) 0.14060(14) 0.0339(3) Uani 1 1 d . . . . .
H2 H 0.525260 0.625049 0.123696 0.041 Uiso 1 1 calc R . . . .
C30 C 0.07020(15) 0.81370(14) 0.59356(14) 0.0342(3) Uani 1 1 d . . . . .
H30 H 0.057002 0.896925 0.552522 0.041 Uiso 1 1 calc R . . . .
C14 C 1.14412(16) 0.21695(15) -0.07023(15) 0.0379(3) Uani 1 1 d . . . . .
H14 H 1.077964 0.289559 -0.086126 0.046 Uiso 1 1 calc R . . . .
C5 C 0.48284(15) 0.29831(14) 0.19407(15) 0.0369(3) Uani 1 1 d . . . . .
H5 H 0.471295 0.216424 0.212718 0.044 Uiso 1 1 calc R . . . .
C27 C 0.10478(16) 0.56436(15) 0.71753(15) 0.0379(3) Uani 1 1 d . . . . .
H27 H 0.114163 0.481080 0.758262 0.045 Uiso 1 1 calc R . . . .
C25 C 0.43479(14) 0.54855(13) 0.51107(14) 0.0318(3) Uani 1 1 d . . . . .
C17 C 1.33125(15) 0.00138(16) -0.02089(16) 0.0412(4) Uani 1 1 d . . . . .
H17 H 1.395235 -0.072896 -0.004871 0.049 Uiso 1 1 calc R . . . .
C19 C 0.71723(16) -0.15223(15) 0.42204(14) 0.0373(3) Uani 1 1 d . . . . .
H19 H 0.632813 -0.096927 0.421481 0.045 Uiso 1 1 calc R . . . .
C22 C 0.96706(17) -0.30918(13) 0.41958(15) 0.0379(3) Uani 1 1 d . . . . .
H22 H 1.052355 -0.363092 0.419409 0.046 Uiso 1 1 calc R . . . .
C29 C -0.03133(16) 0.77533(15) 0.68772(15) 0.0382(3) Uani 1 1 d . . . . .
H29 H -0.112782 0.832504 0.710503 0.046 Uiso 1 1 calc R . . . .
C20 C 0.72677(18) -0.27024(16) 0.49645(15) 0.0421(4) Uani 1 1 d . . . . .
H20 H 0.648488 -0.295779 0.546366 0.050 Uiso 1 1 calc R . . . .
C21 C 0.85295(19) -0.34921(14) 0.49584(16) 0.0434(4) Uani 1 1 d . . . . .
H21 H 0.861474 -0.428494 0.546040 0.052 Uiso 1 1 calc R . . . .
C28 C -0.01392(16) 0.64981(16) 0.75080(16) 0.0404(3) Uani 1 1 d . . . . .
H28 H -0.083570 0.624750 0.815570 0.048 Uiso 1 1 calc R . . . .
C15 C 1.27763(17) 0.20633(17) -0.13917(16) 0.0445(4) Uani 1 1 d . . . . .
H15 H 1.302785 0.272394 -0.201036 0.053 Uiso 1 1 calc R . . . .
C16 C 1.37285(17) 0.09625(18) -0.11473(16) 0.0475(4) Uani 1 1 d . . . . .
H16 H 1.462799 0.086316 -0.160390 0.057 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N1 2.0941(11) 1_465 ?
Zn1 O1 1.9469(10) . ?
Zn1 O3 1.9715(11) . ?
Zn1 N2 2.2471(12) 1_465 ?
Zn1 N3 2.1757(12) 1_465 ?
N1 C10 1.3383(17) . ?
N1 C11 1.3395(17) . ?
O1 C7 1.2807(19) . ?
O2 C7 1.2287(19) . ?
O3 C32 1.2763(18) . ?
N2 C13 1.3458(17) . ?
N2 C17 1.3317(19) . ?
O4 C32 1.2181(19) . ?
N3 C18 1.3465(17) . ?
N3 C22 1.3353(18) . ?
N4 C26 1.3679(18) . ?
N4 C25 1.318(2) . ?
C10 C13 1.4844(19) . ?
C10 C9 1.3890(18) . ?
C13 C14 1.387(2) . ?
C11 C12 1.3855(18) . ?
C11 C18 1.4851(18) . ?
C32 C23 1.5224(19) . ?
C4 C8 1.4853(17) . ?
C4 C3 1.397(2) . ?
C4 C5 1.390(2) . ?
C1 C7 1.5146(18) . ?
C1 C6 1.392(2) . ?
C1 C2 1.384(2) . ?
C9 H9 0.9300 . ?
C9 C8 1.396(2) . ?
C31 C23 1.419(2) . ?
C31 C26 1.4264(19) . ?
C31 C30 1.4227(19) . ?
C8 C12 1.399(2) . ?
C23 C24 1.3730(19) . ?
C12 H12 0.9300 . ?
C3 H3 0.9300 . ?
C3 C2 1.3915(19) . ?
C18 C19 1.384(2) . ?
C6 H6 0.9300 . ?
C6 C5 1.3842(19) . ?
C26 C27 1.416(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.416(2) . ?
C2 H2 0.9300 . ?
C30 H30 0.9300 . ?
C30 C29 1.361(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(2) . ?
C5 H5 0.9300 . ?
C27 H27 0.9300 . ?
C27 C28 1.368(2) . ?
C25 C25 1.497(3) 2_666 ?
C17 H17 0.9300 . ?
C17 C16 1.381(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(2) . ?
C22 H22 0.9300 . ?
C22 C21 1.380(2) . ?
C29 H29 0.9300 . ?
C29 C28 1.407(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.372(2) . ?
C21 H21 0.9300 . ?
C28 H28 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.382(3) . ?
C16 H16 0.9300 . ?

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
N1 Zn1 N2 73.66(4) 1_465 1_465 ?
N1 Zn1 N3 75.26(4) 1_465 1_465 ?
O1 Zn1 N1 149.74(5) . 1_465 ?
O1 Zn1 O3 102.18(5) . . ?
O1 Zn1 N2 94.05(5) . 1_465 ?
O1 Zn1 N3 108.24(5) . 1_465 ?
O3 Zn1 N1 106.03(4) . 1_465 ?
O3 Zn1 N2 93.55(5) . 1_465 ?
O3 Zn1 N3 104.18(5) . 1_465 ?
N3 Zn1 N2 147.43(4) 1_465 1_465 ?
C10 N1 Zn1 120.49(9) . 1_645 ?
C10 N1 C11 119.91(11) . . ?
C11 N1 Zn1 118.63(9) . 1_645 ?
C7 O1 Zn1 124.78(10) . . ?
C32 O3 Zn1 136.01(10) . . ?
C13 N2 Zn1 114.81(9) . 1_645 ?
C17 N2 Zn1 126.43(10) . 1_645 ?
C17 N2 C13 118.33(13) . . ?
C18 N3 Zn1 115.82(9) . 1_645 ?
C22 N3 Zn1 126.05(10) . 1_645 ?
C22 N3 C18 118.13(13) . . ?
C25 N4 C26 117.62(12) . . ?
N1 C10 C13 114.50(11) . . ?
N1 C10 C9 121.62(12) . . ?
C9 C10 C13 123.88(12) . . ?
N2 C13 C10 114.85(12) . . ?
N2 C13 C14 121.99(13) . . ?
C14 C13 C10 123.16(12) . . ?
N1 C11 C12 121.70(12) . . ?
N1 C11 C18 114.53(11) . . ?
C12 C11 C18 123.77(13) . . ?
O3 C32 C23 117.17(13) . . ?
O4 C32 O3 124.86(14) . . ?
O4 C32 C23 117.98(13) . . ?
C3 C4 C8 120.70(13) . . ?
C5 C4 C8 120.57(13) . . ?
C5 C4 C3 118.73(12) . . ?
C6 C1 C7 119.08(13) . . ?
C2 C1 C7 121.89(13) . . ?
C2 C1 C6 119.03(12) . . ?
C10 C9 H9 120.3 . . ?
C10 C9 C8 119.36(12) . . ?
C8 C9 H9 120.3 . . ?
C23 C31 C26 117.26(12) . . ?
C23 C31 C30 124.55(13) . . ?
C30 C31 C26 118.17(13) . . ?
C9 C8 C4 121.56(12) . . ?
C9 C8 C12 118.06(12) . . ?
C12 C8 C4 120.37(13) . . ?
C31 C23 C32 122.61(12) . . ?
C24 C23 C32 118.92(13) . . ?
C24 C23 C31 118.46(13) . . ?
C11 C12 C8 119.33(13) . . ?
C11 C12 H12 120.3 . . ?
C8 C12 H12 120.3 . . ?
C4 C3 H3 119.8 . . ?
C2 C3 C4 120.47(14) . . ?
C2 C3 H3 119.8 . . ?
O1 C7 C1 115.10(13) . . ?
O2 C7 O1 125.38(13) . . ?
O2 C7 C1 119.52(14) . . ?
N3 C18 C11 114.70(12) . . ?
N3 C18 C19 122.38(13) . . ?
C19 C18 C11 122.86(12) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.70(14) . . ?
C5 C6 H6 119.7 . . ?
N4 C26 C31 123.23(14) . . ?
N4 C26 C27 117.54(13) . . ?
C27 C26 C31 119.21(13) . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.15(14) . . ?
C25 C24 H24 119.9 . . ?
C1 C2 C3 120.46(14) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C31 C30 H30 119.4 . . ?
C29 C30 C31 121.12(14) . . ?
C29 C30 H30 119.4 . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.88(14) . . ?
C15 C14 H14 120.6 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.57(14) . . ?
C6 C5 H5 119.7 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.56(15) . . ?
C28 C27 H27 119.7 . . ?
N4 C25 C24 123.23(12) . . ?
N4 C25 C25 116.91(16) . 2_666 ?
C24 C25 C25 119.86(17) . 2_666 ?
N2 C17 H17 118.4 . . ?
N2 C17 C16 123.28(15) . . ?
C16 C17 H17 118.4 . . ?
C18 C19 H19 120.7 . . ?
C20 C19 C18 118.53(14) . . ?
C20 C19 H19 120.7 . . ?
N3 C22 H22 118.7 . . ?
N3 C22 C21 122.67(14) . . ?
C21 C22 H22 118.7 . . ?
C30 C29 H29 119.8 . . ?
C30 C29 C28 120.46(14) . . ?
C28 C29 H29 119.8 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.29(15) . . ?
C21 C20 H20 120.4 . . ?
C22 C21 H21 120.5 . . ?
C20 C21 C22 118.98(14) . . ?
C20 C21 H21 120.5 . . ?
C27 C28 C29 120.44(15) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 119.10(15) . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 118.41(15) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
