# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_20191124ZZW_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1977126'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;College of Chemistry, Sichuan University
China
;
_audit_update_record             
;
2020-01-13 deposited with the CCDC.	2020-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H30 N2 O5'
_chemical_formula_weight         510.57

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.5509(13)
_cell_length_b                   15.2802(19)
_cell_length_c                   16.524(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2664.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9027
_cell_measurement_theta_min      2.89
_cell_measurement_theta_max      70.26

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_F_000             1080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.310
_exptl_absorpt_coefficient_mu    0.702
_shelx_estimated_absorpt_T_min   0.743
_shelx_estimated_absorpt_T_max   0.812
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6059
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2018)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19057
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.940
_diffrn_reflns_theta_max         70.255
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             5043
_reflns_number_gt                4990
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.768
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.994

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0563P)²+0.2472P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2146 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(4)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5043
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0887
_refine_ls_wR_factor_gt          0.0880
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.79720(13) 0.38666(10) 0.49273(9) 0.0403(3) Uani 1 1 d . . . . .
N1 N 0.65425(13) 0.45979(9) 0.57741(9) 0.0276(3) Uani 1 1 d . . . . .
C1 C 1.28613(17) 0.59483(12) 0.53414(12) 0.0312(4) Uani 1 1 d . . . . .
H1 H 1.313907 0.549708 0.569492 0.037 Uiso 1 1 calc R U . . .
O2 O 0.55004(12) 0.36609(9) 0.49625(10) 0.0394(3) Uani 1 1 d . . . . .
N2 N 0.94547(13) 0.55054(9) 0.53737(8) 0.0249(3) Uani 1 1 d . . . . .
C2 C 1.37378(18) 0.65210(14) 0.50038(15) 0.0412(5) Uani 1 1 d . . . . .
H2 H 1.461339 0.645695 0.512409 0.049 Uiso 1 1 calc R U . . .
C3 C 1.3342(2) 0.71803(15) 0.44960(15) 0.0472(5) Uani 1 1 d . . . . .
H3 H 1.394196 0.757650 0.427332 0.057 Uiso 1 1 calc R U . . .
O3 O 0.44928(13) 0.42001(10) 0.60553(9) 0.0404(3) Uani 1 1 d . . . . .
C4 C 1.2064(2) 0.72662(15) 0.43092(14) 0.0475(5) Uani 1 1 d . . . . .
H4 H 1.179099 0.771829 0.395531 0.057 Uiso 1 1 calc R U . . .
O4 O 0.82707(12) 0.36347(8) 0.71344(8) 0.0313(3) Uani 1 1 d . . . . .
C5 C 1.11906(19) 0.66934(13) 0.46386(12) 0.0349(4) Uani 1 1 d . . . . .
H5 H 1.031859 0.675082 0.450559 0.042 Uiso 1 1 calc R U . . .
O5 O 1.01144(15) 0.40460(13) 0.77072(10) 0.0526(4) Uani 1 1 d . . . . .
C6 C 1.15791(15) 0.60337(10) 0.51633(10) 0.0241(3) Uani 1 1 d . . . . .
C7 C 1.06365(15) 0.54601(10) 0.55537(10) 0.0230(3) Uani 1 1 d . . . . .
C9 C 0.97525(16) 0.42980(10) 0.62930(10) 0.0249(3) Uani 1 1 d . . . . .
H9 H 0.982252 0.377120 0.593674 0.030 Uiso 1 1 calc R U . . .
C8 C 1.09835(15) 0.48192(11) 0.62156(10) 0.0265(3) Uani 1 1 d . . . . .
H8A H 1.119770 0.512365 0.672648 0.032 Uiso 1 1 calc R U . . .
H8B H 1.170075 0.444021 0.605315 0.032 Uiso 1 1 calc R U . . .
C10 C 0.87425(15) 0.49228(10) 0.59152(10) 0.0240(3) Uani 1 1 d . . . . .
C11 C 0.94251(17) 0.39879(11) 0.71365(11) 0.0287(3) Uani 1 1 d . . . . .
C12 C 0.7685(2) 0.32991(14) 0.78892(13) 0.0385(4) Uani 1 1 d . . . . .
C13 C 0.7602(3) 0.4023(2) 0.85121(16) 0.0651(8) Uani 1 1 d . . . . .
H13A H 0.721793 0.454237 0.826573 0.098 Uiso 1 1 calc R U . . .
H13B H 0.845485 0.416710 0.870592 0.098 Uiso 1 1 calc R U . . .
H13C H 0.707998 0.382770 0.896820 0.098 Uiso 1 1 calc R U . . .
C14 C 0.8428(3) 0.2512(2) 0.8168(2) 0.0766(9) Uani 1 1 d . . . . .
H14A H 0.840763 0.206064 0.774752 0.115 Uiso 1 1 calc R U . . .
H14B H 0.805032 0.228126 0.866638 0.115 Uiso 1 1 calc R U . . .
H14C H 0.930777 0.268351 0.827275 0.115 Uiso 1 1 calc R U . . .
C15 C 0.6374(2) 0.3037(2) 0.76116(17) 0.0609(7) Uani 1 1 d . . . . .
H15A H 0.590309 0.356010 0.744514 0.091 Uiso 1 1 calc R U . . .
H15B H 0.592530 0.274838 0.805698 0.091 Uiso 1 1 calc R U . . .
H15C H 0.644259 0.263374 0.715275 0.091 Uiso 1 1 calc R U . . .
C16 C 0.77462(16) 0.43879(11) 0.54502(10) 0.0275(3) Uani 1 1 d . . . . .
C17 C 0.66762(16) 0.52361(11) 0.64052(10) 0.0263(3) Uani 1 1 d . . . . .
C18 C 0.57605(18) 0.56408(12) 0.68703(12) 0.0334(4) Uani 1 1 d . . . . .
H18 H 0.488880 0.549844 0.681209 0.040 Uiso 1 1 calc R U . . .
C19 C 0.61632(18) 0.62669(13) 0.74290(12) 0.0346(4) Uani 1 1 d . . . . .
H19 H 0.554401 0.655163 0.775290 0.042 Uiso 1 1 calc R U . . .
C20 C 0.74314(19) 0.64932(11) 0.75334(11) 0.0325(4) Uani 1 1 d . . . . .
C21 C 0.7822(2) 0.71885(15) 0.81339(13) 0.0463(5) Uani 1 1 d . . . . .
H21A H 0.862417 0.745233 0.796102 0.070 Uiso 1 1 calc R U . . .
H21B H 0.792968 0.692298 0.866933 0.070 Uiso 1 1 calc R U . . .
H21C H 0.716545 0.764128 0.816076 0.070 Uiso 1 1 calc R U . . .
C22 C 0.83335(17) 0.60668(11) 0.70545(10) 0.0276(3) Uani 1 1 d . . . . .
H22 H 0.920697 0.620472 0.711102 0.033 Uiso 1 1 calc R U . . .
C23 C 0.79507(16) 0.54439(10) 0.64983(10) 0.0246(3) Uani 1 1 d . . . . .
C24 C 0.54065(16) 0.41465(11) 0.56293(12) 0.0297(4) Uani 1 1 d . . . . .
C25 C 0.43936(19) 0.31278(13) 0.47793(17) 0.0449(5) Uani 1 1 d . . . . .
H25A H 0.406580 0.287031 0.528762 0.054 Uiso 1 1 calc R U . . .
H25B H 0.465008 0.264074 0.441974 0.054 Uiso 1 1 calc R U . . .
C26 C 0.33541(17) 0.36393(12) 0.43782(12) 0.0334(4) Uani 1 1 d . . . . .
C27 C 0.36036(19) 0.43260(13) 0.38481(13) 0.0396(4) Uani 1 1 d . . . . .
H27 H 0.445581 0.448431 0.373393 0.048 Uiso 1 1 calc R U . . .
C28 C 0.2620(2) 0.47802(15) 0.34859(13) 0.0434(5) Uani 1 1 d . . . . .
H28 H 0.279954 0.525288 0.313040 0.052 Uiso 1 1 calc R U . . .
C29 C 0.1372(2) 0.45460(15) 0.36413(12) 0.0413(4) Uani 1 1 d . . . . .
H29 H 0.069611 0.485722 0.339365 0.050 Uiso 1 1 calc R U . . .
C30 C 0.11196(18) 0.38553(14) 0.41599(13) 0.0400(4) Uani 1 1 d . . . . .
H30 H 0.026717 0.368921 0.426325 0.048 Uiso 1 1 calc R U . . .
C31 C 0.21019(19) 0.34054(13) 0.45287(12) 0.0359(4) Uani 1 1 d . . . . .
H31 H 0.191975 0.293491 0.488605 0.043 Uiso 1 1 calc R U . . .


_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
O1 C16 1.199(2) . ?
N1 C24 1.403(2) . ?
N1 C16 1.415(2) . ?
N1 C17 1.435(2) . ?
C1 C2 1.390(3) . ?
C1 C6 1.391(2) . ?
C1 H1 0.9500 . ?
O2 C24 1.332(2) . ?
O2 C25 1.456(2) . ?
N2 C7 1.284(2) . ?
N2 C10 1.469(2) . ?
C2 C3 1.376(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(3) . ?
C3 H3 0.9500 . ?
O3 C24 1.196(2) . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
O4 C11 1.332(2) . ?
O4 C12 1.483(2) . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
O5 C11 1.194(2) . ?
C6 C7 1.474(2) . ?
C7 C8 1.513(2) . ?
C9 C11 1.512(2) . ?
C9 C8 1.529(2) . ?
C9 C10 1.561(2) . ?
C9 H9 1.0000 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 C23 1.503(2) . ?
C10 C16 1.537(2) . ?
C12 C14 1.507(3) . ?
C12 C15 1.512(3) . ?
C12 C13 1.513(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C17 C18 1.381(3) . ?
C17 C23 1.390(2) . ?
C18 C19 1.396(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(3) . ?
C19 H19 0.9500 . ?
C20 C22 1.399(3) . ?
C20 C21 1.511(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.383(2) . ?
C22 H22 0.9500 . ?
C25 C26 1.501(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C31 1.391(3) . ?
C26 C27 1.392(3) . ?
C27 C28 1.384(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.389(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?

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
C24 N1 C16 126.20(14) . . ?
C24 N1 C17 122.82(14) . . ?
C16 N1 C17 109.93(13) . . ?
C2 C1 C6 120.22(17) . . ?
C2 C1 H1 119.9 . . ?
C6 C1 H1 119.9 . . ?
C24 O2 C25 115.09(16) . . ?
C7 N2 C10 108.85(13) . . ?
C3 C2 C1 120.24(19) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.94(18) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 119.99(19) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C11 O4 C12 121.23(14) . . ?
C4 C5 C6 120.49(18) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.10(16) . . ?
C1 C6 C7 120.53(15) . . ?
C5 C6 C7 120.31(16) . . ?
N2 C7 C6 121.45(15) . . ?
N2 C7 C8 115.94(14) . . ?
C6 C7 C8 122.54(14) . . ?
C11 C9 C8 115.75(14) . . ?
C11 C9 C10 113.85(14) . . ?
C8 C9 C10 103.18(12) . . ?
C11 C9 H9 107.9 . . ?
C8 C9 H9 107.9 . . ?
C10 C9 H9 107.9 . . ?
C7 C8 C9 101.07(13) . . ?
C7 C8 H8A 111.6 . . ?
C9 C8 H8A 111.6 . . ?
C7 C8 H8B 111.6 . . ?
C9 C8 H8B 111.6 . . ?
H8A C8 H8B 109.4 . . ?
N2 C10 C23 110.71(13) . . ?
N2 C10 C16 111.57(13) . . ?
C23 C10 C16 102.82(13) . . ?
N2 C10 C9 105.37(12) . . ?
C23 C10 C9 116.55(13) . . ?
C16 C10 C9 109.97(13) . . ?
O5 C11 O4 126.08(17) . . ?
O5 C11 C9 124.44(16) . . ?
O4 C11 C9 109.48(14) . . ?
O4 C12 C14 108.47(19) . . ?
O4 C12 C15 102.56(17) . . ?
C14 C12 C15 110.9(2) . . ?
O4 C12 C13 110.09(17) . . ?
C14 C12 C13 113.9(2) . . ?
C15 C12 C13 110.3(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C16 N1 126.98(16) . . ?
O1 C16 C10 125.27(16) . . ?
N1 C16 C10 107.70(14) . . ?
C18 C17 C23 120.86(16) . . ?
C18 C17 N1 129.81(16) . . ?
C23 C17 N1 109.32(14) . . ?
C17 C18 C19 117.53(17) . . ?
C17 C18 H18 121.2 . . ?
C19 C18 H18 121.2 . . ?
C20 C19 C18 122.99(17) . . ?
C20 C19 H19 118.5 . . ?
C18 C19 H19 118.5 . . ?
C19 C20 C22 117.90(17) . . ?
C19 C20 C21 121.19(18) . . ?
C22 C20 C21 120.90(18) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C20 119.85(17) . . ?
C23 C22 H22 120.1 . . ?
C20 C22 H22 120.1 . . ?
C22 C23 C17 120.87(16) . . ?
C22 C23 C10 128.90(15) . . ?
C17 C23 C10 110.22(14) . . ?
O3 C24 O2 125.79(17) . . ?
O3 C24 N1 123.65(18) . . ?
O2 C24 N1 110.56(15) . . ?
O2 C25 C26 112.75(16) . . ?
O2 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
O2 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C31 C26 C27 119.06(18) . . ?
C31 C26 C25 118.77(18) . . ?
C27 C26 C25 122.15(18) . . ?
C28 C27 C26 120.54(19) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 120.1(2) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C28 119.55(19) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C31 C30 C29 120.42(18) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C26 120.30(19) . . ?
C30 C31 H31 119.8 . . ?
C26 C31 H31 119.8 . . ?

_refine_diff_density_max         0.170
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.053


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM, PE'
