# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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. 
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data_cu_d8v17002_0m
_database_code_depnum_ccdc_archive 'CCDC 1903613'
loop_
_audit_author_name
_audit_author_address
'Jing Xu'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2019-03-16 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;
_audit_creation_date             2017-05-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5335)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C24 H36 O3'
_chemical_formula_sum            'C24 H36 O3'
_chemical_formula_weight         372.53
_chemical_absolute_configuration rmad
_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 0.0181 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'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   8.9194(8)
_cell_length_b                   12.8315(12)
_cell_length_c                   18.5057(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2118.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7516
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.10
_cell_measurement_theta_min      4.96
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.844
_exptl_absorpt_coefficient_mu    0.584
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.5138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1266 before and 0.0739 after correction. The Ratio of minimum to maximum transmission is 0.6821. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11725
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.136
_diffrn_reflns_theta_min         4.193
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.718
_reflns_Friedel_fraction_full    0.947
_reflns_Friedel_fraction_max     0.940
_reflns_number_gt                3438
_reflns_number_total             3872
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 1279 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.10(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3872
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0659
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0831P)²+0.7133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1672
_refine_ls_wR_factor_ref         0.1734
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5), C6(H6), C10(H10), C13(H13), C16(H16), C17(H17), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C4(H4A,H4B), C7(H7A,H7B), C8(H8A,H8B), C11(H11A,H11B), C12(H12A,
 H12B), C15(H15A,H15B)
2.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
O1 O 0.4825(6) 0.1796(3) 0.5188(2) 0.0931(13) Uani 1 1 d . . . . .
O2 O 0.2749(3) 0.6688(2) 0.60889(16) 0.0570(7) Uani 1 1 d . . . . .
O3 O 0.1046(5) 0.7571(3) 0.67146(19) 0.0838(11) Uani 1 1 d . . . . .
C1 C 0.5114(5) 0.2721(4) 0.5222(3) 0.0636(12) Uani 1 1 d . . . . .
C2 C 0.5650(5) 0.3380(4) 0.4612(2) 0.0627(11) Uani 1 1 d . . . . .
H2A H 0.5168 0.3176 0.4164 0.075 Uiso 1 1 calc R . . . .
H2B H 0.6727 0.3316 0.4554 0.075 Uiso 1 1 calc R . . . .
C3 C 0.5223(5) 0.4495(3) 0.4815(2) 0.0515(9) Uani 1 1 d . . . . .
C4 C 0.3565(5) 0.4695(3) 0.4636(2) 0.0499(9) Uani 1 1 d . . . . .
H4A H 0.2984 0.4105 0.4807 0.060 Uiso 1 1 calc R . . . .
H4B H 0.3459 0.4721 0.4115 0.060 Uiso 1 1 calc R . . . .
C5 C 0.2881(4) 0.5695(3) 0.4955(2) 0.0465(8) Uani 1 1 d . . . . .
H5 H 0.3510 0.6280 0.4799 0.056 Uiso 1 1 calc R . . . .
C6 C 0.1313(5) 0.5841(3) 0.4603(2) 0.0513(9) Uani 1 1 d . . . . .
H6 H 0.0862 0.5148 0.4556 0.062 Uiso 1 1 calc R . . . .
C7 C 0.0184(5) 0.6530(4) 0.4996(2) 0.0610(11) Uani 1 1 d . . . . .
H7A H 0.0692 0.7158 0.5154 0.073 Uiso 1 1 calc R . . . .
H7B H -0.0588 0.6737 0.4656 0.073 Uiso 1 1 calc R . . . .
C8 C -0.0567(5) 0.6029(4) 0.5647(2) 0.0651(12) Uani 1 1 d . . . . .
H8A H -0.1026 0.5380 0.5495 0.078 Uiso 1 1 calc R . . . .
H8B H -0.1363 0.6486 0.5813 0.078 Uiso 1 1 calc R . . . .
C9 C 0.0488(5) 0.5802(3) 0.6287(2) 0.0528(10) Uani 1 1 d . . . . .
C10 C -0.0346(5) 0.5387(4) 0.6957(2) 0.0666(12) Uani 1 1 d . . . . .
H10 H -0.0973 0.4806 0.6794 0.080 Uiso 1 1 calc R . . . .
C11 C 0.0917(6) 0.4921(5) 0.7410(3) 0.0740(14) Uani 1 1 d . . . . .
H11A H 0.1426 0.5459 0.7684 0.089 Uiso 1 1 calc R . . . .
H11B H 0.0529 0.4402 0.7742 0.089 Uiso 1 1 calc R . . . .
C12 C 0.1975(6) 0.4425(4) 0.6866(2) 0.0628(12) Uani 1 1 d . . . . .
H12A H 0.1766 0.3686 0.6821 0.075 Uiso 1 1 calc R . . . .
H12B H 0.3007 0.4510 0.7021 0.075 Uiso 1 1 calc R . . . .
C13 C 0.1716(4) 0.4986(3) 0.6126(2) 0.0482(8) Uani 1 1 d . . . . .
H13 H 0.1342 0.4483 0.5770 0.058 Uiso 1 1 calc R . . . .
C14 C 0.2981(5) 0.5633(3) 0.5789(2) 0.0465(9) Uani 1 1 d . . . . .
C15 C 0.4614(5) 0.5408(3) 0.6007(2) 0.0521(9) Uani 1 1 d . . . . .
H15A H 0.5201 0.6028 0.5907 0.063 Uiso 1 1 calc R . . . .
H15B H 0.4639 0.5297 0.6525 0.063 Uiso 1 1 calc R . . . .
C16 C 0.5390(5) 0.4483(3) 0.5645(2) 0.0525(9) Uani 1 1 d . . . . .
H16 H 0.6463 0.4547 0.5750 0.063 Uiso 1 1 calc R . . . .
C17 C 0.4909(5) 0.3384(3) 0.5889(2) 0.0546(10) Uani 1 1 d . . . . .
H17 H 0.3835 0.3407 0.6000 0.065 Uiso 1 1 calc R . . . .
C18 C 0.5748(6) 0.3008(4) 0.6582(3) 0.0718(13) Uani 1 1 d . . . . .
H18 H 0.5741 0.3582 0.6931 0.086 Uiso 1 1 calc R . . . .
C19 C 0.4927(9) 0.2078(6) 0.6924(4) 0.132(3) Uani 1 1 d . . . . .
H19A H 0.4910 0.1508 0.6589 0.198 Uiso 1 1 calc GR . . . .
H19B H 0.3918 0.2277 0.7041 0.198 Uiso 1 1 calc GR . . . .
H19C H 0.5440 0.1870 0.7357 0.198 Uiso 1 1 calc GR . . . .
C20 C 0.7324(7) 0.2724(5) 0.6443(3) 0.0907(18) Uani 1 1 d . . . . .
H20A H 0.7854 0.2676 0.6893 0.136 Uiso 1 1 calc GR . . . .
H20B H 0.7784 0.3247 0.6145 0.136 Uiso 1 1 calc GR . . . .
H20C H 0.7362 0.2063 0.6200 0.136 Uiso 1 1 calc GR . . . .
C21 C 0.6246(5) 0.5300(4) 0.4448(2) 0.0666(12) Uani 1 1 d . . . . .
H21A H 0.7273 0.5091 0.4503 0.100 Uiso 1 1 calc GR . . . .
H21B H 0.6100 0.5969 0.4668 0.100 Uiso 1 1 calc GR . . . .
H21C H 0.6003 0.5340 0.3943 0.100 Uiso 1 1 calc GR . . . .
C22 C 0.1509(6) 0.6279(5) 0.3834(3) 0.0768(15) Uani 1 1 d . . . . .
H22A H 0.0543 0.6359 0.3611 0.115 Uiso 1 1 calc GR . . . .
H22B H 0.2106 0.5807 0.3553 0.115 Uiso 1 1 calc GR . . . .
H22C H 0.1999 0.6944 0.3858 0.115 Uiso 1 1 calc GR . . . .
C23 C 0.1391(6) 0.6777(4) 0.6414(2) 0.0592(11) Uani 1 1 d . . . . .
C24 C -0.1378(8) 0.6147(6) 0.7362(4) 0.108(2) Uani 1 1 d . . . . .
H24A H -0.1854 0.5791 0.7756 0.162 Uiso 1 1 calc GR . . . .
H24B H -0.2128 0.6407 0.7037 0.162 Uiso 1 1 calc GR . . . .
H24C H -0.0796 0.6718 0.7545 0.162 Uiso 1 1 calc GR . . . .


_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 C1 1.216(6) . ?
O2 C14 1.477(5) . ?
O2 C23 1.357(6) . ?
O3 C23 1.201(5) . ?
C1 C2 1.489(7) . ?
C1 C17 1.511(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.529(6) . ?
C3 C4 1.536(6) . ?
C3 C16 1.543(5) . ?
C3 C21 1.536(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.538(6) . ?
C5 H5 0.9800 . ?
C5 C6 1.554(5) . ?
C5 C14 1.549(5) . ?
C6 H6 0.9800 . ?
C6 C7 1.525(6) . ?
C6 C22 1.540(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.521(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.540(6) . ?
C9 C10 1.541(6) . ?
C9 C13 1.544(5) . ?
C9 C23 1.506(6) . ?
C10 H10 0.9800 . ?
C10 C11 1.526(7) . ?
C10 C24 1.535(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.519(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.565(6) . ?
C13 H13 0.9800 . ?
C13 C14 1.533(6) . ?
C14 C15 1.538(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.529(6) . ?
C16 H16 0.9800 . ?
C16 C17 1.542(6) . ?
C17 H17 0.9800 . ?
C17 C18 1.561(6) . ?
C18 H18 0.9800 . ?
C18 C19 1.537(8) . ?
C18 C20 1.475(8) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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
C23 O2 C14 111.6(3) . . ?
O1 C1 C2 125.7(5) . . ?
O1 C1 C17 124.5(5) . . ?
C2 C1 C17 109.8(4) . . ?
C1 C2 H2A 110.7 . . ?
C1 C2 H2B 110.7 . . ?
C1 C2 C3 105.4(4) . . ?
H2A C2 H2B 108.8 . . ?
C3 C2 H2A 110.7 . . ?
C3 C2 H2B 110.7 . . ?
C2 C3 C4 110.0(4) . . ?
C2 C3 C16 102.2(3) . . ?
C2 C3 C21 111.8(4) . . ?
C4 C3 C16 108.0(3) . . ?
C21 C3 C4 111.4(4) . . ?
C21 C3 C16 113.0(4) . . ?
C3 C4 H4A 108.3 . . ?
C3 C4 H4B 108.3 . . ?
C3 C4 C5 116.0(3) . . ?
H4A C4 H4B 107.4 . . ?
C5 C4 H4A 108.3 . . ?
C5 C4 H4B 108.3 . . ?
C4 C5 H5 107.4 . . ?
C4 C5 C6 107.3(3) . . ?
C4 C5 C14 108.5(3) . . ?
C6 C5 H5 107.4 . . ?
C14 C5 H5 107.4 . . ?
C14 C5 C6 118.4(3) . . ?
C5 C6 H6 107.3 . . ?
C7 C6 C5 117.7(3) . . ?
C7 C6 H6 107.3 . . ?
C7 C6 C22 107.7(4) . . ?
C22 C6 C5 109.2(4) . . ?
C22 C6 H6 107.3 . . ?
C6 C7 H7A 108.5 . . ?
C6 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C8 C7 C6 115.1(4) . . ?
C8 C7 H7A 108.5 . . ?
C8 C7 H7B 108.5 . . ?
C7 C8 H8A 108.6 . . ?
C7 C8 H8B 108.6 . . ?
C7 C8 C9 114.8(4) . . ?
H8A C8 H8B 107.5 . . ?
C9 C8 H8A 108.6 . . ?
C9 C8 H8B 108.6 . . ?
C8 C9 C10 112.9(4) . . ?
C8 C9 C13 114.4(3) . . ?
C10 C9 C13 105.3(3) . . ?
C23 C9 C8 106.8(4) . . ?
C23 C9 C10 114.8(4) . . ?
C23 C9 C13 102.4(3) . . ?
C9 C10 H10 106.9 . . ?
C11 C10 C9 102.7(4) . . ?
C11 C10 H10 106.9 . . ?
C11 C10 C24 115.1(4) . . ?
C24 C10 C9 117.5(5) . . ?
C24 C10 H10 106.9 . . ?
C10 C11 H11A 110.7 . . ?
C10 C11 H11B 110.7 . . ?
H11A C11 H11B 108.8 . . ?
C12 C11 C10 105.0(4) . . ?
C12 C11 H11A 110.7 . . ?
C12 C11 H11B 110.7 . . ?
C11 C12 H12A 110.3 . . ?
C11 C12 H12B 110.3 . . ?
C11 C12 C13 107.1(4) . . ?
H12A C12 H12B 108.5 . . ?
C13 C12 H12A 110.3 . . ?
C13 C12 H12B 110.3 . . ?
C9 C13 C12 104.4(3) . . ?
C9 C13 H13 109.5 . . ?
C12 C13 H13 109.5 . . ?
C14 C13 C9 103.5(3) . . ?
C14 C13 C12 119.7(4) . . ?
C14 C13 H13 109.5 . . ?
O2 C14 C5 108.6(3) . . ?
O2 C14 C13 103.9(3) . . ?
O2 C14 C15 101.9(3) . . ?
C13 C14 C5 113.0(3) . . ?
C13 C14 C15 119.3(3) . . ?
C15 C14 C5 109.0(3) . . ?
C14 C15 H15A 108.0 . . ?
C14 C15 H15B 108.0 . . ?
H15A C15 H15B 107.2 . . ?
C16 C15 C14 117.4(3) . . ?
C16 C15 H15A 108.0 . . ?
C16 C15 H15B 108.0 . . ?
C3 C16 H16 106.9 . . ?
C15 C16 C3 112.6(3) . . ?
C15 C16 H16 106.9 . . ?
C15 C16 C17 117.1(3) . . ?
C17 C16 C3 105.9(3) . . ?
C17 C16 H16 106.9 . . ?
C1 C17 C16 104.0(3) . . ?
C1 C17 H17 107.8 . . ?
C1 C17 C18 116.0(4) . . ?
C16 C17 H17 107.8 . . ?
C16 C17 C18 112.9(4) . . ?
C18 C17 H17 107.8 . . ?
C17 C18 H18 107.9 . . ?
C19 C18 C17 110.5(5) . . ?
C19 C18 H18 107.9 . . ?
C20 C18 C17 113.0(4) . . ?
C20 C18 H18 107.9 . . ?
C20 C18 C19 109.5(5) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C3 C21 H21A 109.5 . . ?
C3 C21 H21B 109.5 . . ?
C3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C6 C22 H22A 109.5 . . ?
C6 C22 H22B 109.5 . . ?
C6 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 C23 C9 109.8(3) . . ?
O3 C23 O2 120.4(5) . . ?
O3 C23 C9 129.8(5) . . ?
C10 C24 H24A 109.5 . . ?
C10 C24 H24B 109.5 . . ?
C10 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

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
O1 C1 C2 C3 156.7(5) . . . . ?
O1 C1 C17 C16 -178.6(5) . . . . ?
O1 C1 C17 C18 56.7(6) . . . . ?
O2 C14 C15 C16 -166.4(3) . . . . ?
C1 C2 C3 C4 -81.0(4) . . . . ?
C1 C2 C3 C16 33.6(4) . . . . ?
C1 C2 C3 C21 154.7(4) . . . . ?
C1 C17 C18 C19 -76.5(6) . . . . ?
C1 C17 C18 C20 46.6(7) . . . . ?
C2 C1 C17 C16 -1.2(5) . . . . ?
C2 C1 C17 C18 -125.9(4) . . . . ?
C2 C3 C4 C5 167.5(3) . . . . ?
C2 C3 C16 C15 -163.8(3) . . . . ?
C2 C3 C16 C17 -34.7(4) . . . . ?
C3 C4 C5 C6 170.3(3) . . . . ?
C3 C4 C5 C14 -60.7(4) . . . . ?
C3 C16 C17 C1 22.5(4) . . . . ?
C3 C16 C17 C18 149.1(4) . . . . ?
C4 C3 C16 C15 -47.8(5) . . . . ?
C4 C3 C16 C17 81.4(4) . . . . ?
C4 C5 C6 C7 159.2(4) . . . . ?
C4 C5 C6 C22 -77.7(4) . . . . ?
C4 C5 C14 O2 163.6(3) . . . . ?
C4 C5 C14 C13 -81.6(4) . . . . ?
C4 C5 C14 C15 53.4(4) . . . . ?
C5 C6 C7 C8 -76.8(5) . . . . ?
C5 C14 C15 C16 -51.7(4) . . . . ?
C6 C5 C14 O2 -73.9(4) . . . . ?
C6 C5 C14 C13 40.9(5) . . . . ?
C6 C5 C14 C15 175.9(3) . . . . ?
C6 C7 C8 C9 66.7(5) . . . . ?
C7 C8 C9 C10 174.9(4) . . . . ?
C7 C8 C9 C13 -64.7(5) . . . . ?
C7 C8 C9 C23 47.7(5) . . . . ?
C8 C9 C10 C11 163.5(4) . . . . ?
C8 C9 C10 C24 -69.1(6) . . . . ?
C8 C9 C13 C12 -148.0(4) . . . . ?
C8 C9 C13 C14 86.0(4) . . . . ?
C8 C9 C23 O2 -97.9(4) . . . . ?
C8 C9 C23 O3 78.6(6) . . . . ?
C9 C10 C11 C12 -37.7(5) . . . . ?
C9 C13 C14 O2 25.9(4) . . . . ?
C9 C13 C14 C5 -91.7(4) . . . . ?
C9 C13 C14 C15 138.4(3) . . . . ?
C10 C9 C13 C12 -23.4(4) . . . . ?
C10 C9 C13 C14 -149.4(3) . . . . ?
C10 C9 C23 O2 136.2(4) . . . . ?
C10 C9 C23 O3 -47.3(6) . . . . ?
C10 C11 C12 C13 23.4(6) . . . . ?
C11 C12 C13 C9 0.1(5) . . . . ?
C11 C12 C13 C14 115.2(5) . . . . ?
C12 C13 C14 O2 -89.7(4) . . . . ?
C12 C13 C14 C5 152.8(4) . . . . ?
C12 C13 C14 C15 22.8(5) . . . . ?
C13 C9 C10 C11 38.0(5) . . . . ?
C13 C9 C10 C24 165.4(5) . . . . ?
C13 C9 C23 O2 22.6(4) . . . . ?
C13 C9 C23 O3 -160.8(5) . . . . ?
C13 C14 C15 C16 80.0(4) . . . . ?
C14 O2 C23 O3 176.7(4) . . . . ?
C14 O2 C23 C9 -6.4(4) . . . . ?
C14 C5 C6 C7 36.1(5) . . . . ?
C14 C5 C6 C22 159.3(4) . . . . ?
C14 C15 C16 C3 49.7(5) . . . . ?
C14 C15 C16 C17 -73.5(4) . . . . ?
C15 C16 C17 C1 149.0(3) . . . . ?
C15 C16 C17 C18 -84.4(4) . . . . ?
C16 C3 C4 C5 56.7(5) . . . . ?
C16 C17 C18 C19 163.5(5) . . . . ?
C16 C17 C18 C20 -73.4(6) . . . . ?
C17 C1 C2 C3 -20.7(5) . . . . ?
C21 C3 C4 C5 -67.9(5) . . . . ?
C21 C3 C16 C15 75.8(5) . . . . ?
C21 C3 C16 C17 -155.0(4) . . . . ?
C22 C6 C7 C8 159.3(4) . . . . ?
C23 O2 C14 C5 107.7(4) . . . . ?
C23 O2 C14 C13 -12.8(4) . . . . ?
C23 O2 C14 C15 -137.4(3) . . . . ?
C23 C9 C10 C11 -73.8(5) . . . . ?
C23 C9 C10 C24 53.6(6) . . . . ?
C23 C9 C13 C12 96.9(4) . . . . ?
C23 C9 C13 C14 -29.1(4) . . . . ?
C24 C10 C11 C12 -166.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
