# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_210922b_auto
_database_code_depnum_ccdc_archive 'CCDC 2126211'
loop_
_audit_author_name
_audit_author_address
'Xiaoxun Li'
;Shandong University
China
;
_audit_update_record             
;
2021-12-04 deposited with the CCDC.	2022-02-17 downloaded from the CCDC.
;
_audit_creation_date             2021-09-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C19 H24 O3'
_chemical_formula_sum            'C19 H24 O3'
_chemical_formula_weight         300.38
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CO
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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.16551(16)
_cell_length_b                   10.4822(2)
_cell_length_c                   17.5734(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1688.36(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1957
_cell_measurement_temperature    293.00(2)
_cell_measurement_theta_max      75.7590
_cell_measurement_theta_min      5.4360
_shelx_estimated_absorpt_T_max   0.975
_shelx_estimated_absorpt_T_min   0.963
_exptl_absorpt_coefficient_mu    0.624
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    1.182
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8109
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.075
_diffrn_reflns_theta_max         67.075
_diffrn_reflns_theta_min         4.913
_diffrn_ambient_temperature      293.00(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     94.00 160.00   1.00    0.56    --  106.49  32.00  87.00   66
  2  ω     96.00 176.00   1.00    0.56    --  106.49 125.00 -60.00   80
  3  ω     36.00 123.00   1.00    0.10    --   48.45  32.00  87.00   87
  4  ω     35.00  64.00   1.00    0.56    --  106.49 -57.00-150.00   29
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0688438000
_diffrn_orient_matrix_UB_12      -0.1262541000
_diffrn_orient_matrix_UB_13      0.0271345000
_diffrn_orient_matrix_UB_21      -0.0090363000
_diffrn_orient_matrix_UB_22      -0.0463035000
_diffrn_orient_matrix_UB_23      -0.0830832000
_diffrn_orient_matrix_UB_31      0.1530500000
_diffrn_orient_matrix_UB_32      -0.0596009000
_diffrn_orient_matrix_UB_33      0.0072013000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.733
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                2811
_reflns_number_total             2989
_reflns_odcompleteness_completeness 82.54
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.158
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 
;
 Flack x determined using 1131 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         2989
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0396
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0662P)²+0.0147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1025
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2A), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C11(H11A,H11B), C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C7(H7), C8(H8), C12(H12), C15(H15), C17(H17)
2.d Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
2.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2(H2), O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.74527(16) 0.37095(16) 0.50731(11) 0.0526(4) Uani 1 1 d . . . . .
H1 H 0.724930 0.299920 0.523734 0.079 Uiso 1 1 calc R U . . .
O2 O 0.20017(16) 0.36245(15) 0.43737(11) 0.0480(4) Uani 1 1 d . . . . .
H2 H 0.125838 0.384880 0.415113 0.072 Uiso 1 1 calc R U . . .
O3 O 0.41593(16) 1.10611(15) 0.61878(10) 0.0480(4) Uani 1 1 d . . . . .
H3 H 0.361928 1.116483 0.582090 0.072 Uiso 1 1 calc R U . . .
C1 C 0.49048(19) 0.64367(19) 0.54370(12) 0.0339(4) Uani 1 1 d . . . . .
C2 C 0.5442(2) 0.52316(19) 0.50555(12) 0.0356(4) Uani 1 1 d . . . . .
H2A H 0.582430 0.547477 0.455517 0.043 Uiso 1 1 calc R U . . .
C3 C 0.4378(2) 0.6428(2) 0.61835(13) 0.0413(5) Uani 1 1 d . . . . .
H3A H 0.429112 0.565220 0.643663 0.050 Uiso 1 1 calc R U . . .
C4 C 0.4575(2) 0.8719(2) 0.54302(12) 0.0374(4) Uani 1 1 d . . . . .
H4 H 0.462586 0.948836 0.516769 0.045 Uiso 1 1 calc R U . . .
C5 C 0.6705(2) 0.4651(2) 0.55045(14) 0.0429(5) Uani 1 1 d . . . . .
H5A H 0.738280 0.532037 0.564707 0.051 Uiso 1 1 calc R U . . .
H5B H 0.633094 0.426870 0.596779 0.051 Uiso 1 1 calc R U . . .
C6 C 0.40909(19) 0.8711(2) 0.61777(12) 0.0367(4) Uani 1 1 d . . . . .
C7 C 0.4986(2) 0.7601(2) 0.50675(12) 0.0370(4) Uani 1 1 d . . . . .
H7 H 0.532096 0.763394 0.456838 0.044 Uiso 1 1 calc R U . . .
C8 C 0.3093(3) 0.6445(3) 0.25262(16) 0.0539(6) Uani 1 1 d . . . . .
H8 H 0.264596 0.715526 0.231162 0.065 Uiso 1 1 calc R U . . .
C9 C 0.3009(2) 0.46847(19) 0.44139(13) 0.0366(4) Uani 1 1 d . . . . .
H9 H 0.251865 0.540396 0.466188 0.044 Uiso 1 1 calc R U . . .
C10 C 0.3446(2) 0.5083(2) 0.36187(12) 0.0378(4) Uani 1 1 d . . . . .
C11 C 0.4242(2) 0.42324(19) 0.49227(13) 0.0367(4) Uani 1 1 d . . . . .
H11A H 0.467937 0.347966 0.469673 0.044 Uiso 1 1 calc R U . . .
H11B H 0.383828 0.398540 0.541115 0.044 Uiso 1 1 calc R U . . .
C12 C 0.2821(2) 0.6149(2) 0.32807(15) 0.0461(5) Uani 1 1 d . . . . .
H12 H 0.221101 0.667259 0.356577 0.055 Uiso 1 1 calc R U . . .
C13 C 0.4011(3) 0.5709(3) 0.20853(14) 0.0505(6) Uani 1 1 d . . . . .
C14 C 0.3977(2) 0.7545(2) 0.65605(13) 0.0420(5) Uani 1 1 d . . . . .
C15 C 0.4406(3) 0.4365(3) 0.31819(15) 0.0529(6) Uani 1 1 d . . . . .
H15 H 0.487025 0.366415 0.339771 0.063 Uiso 1 1 calc R U . . .
C16 C 0.3735(3) 0.9945(2) 0.65878(14) 0.0474(5) Uani 1 1 d . . . . .
H16A H 0.269156 0.997890 0.667805 0.057 Uiso 1 1 calc R U . . .
H16B H 0.421614 0.994012 0.707943 0.057 Uiso 1 1 calc R U . . .
C17 C 0.4681(3) 0.4677(3) 0.24317(16) 0.0583(6) Uani 1 1 d . . . . .
H17 H 0.533179 0.418240 0.215272 0.070 Uiso 1 1 calc R U . . .
C18 C 0.4250(4) 0.5984(4) 0.12537(17) 0.0729(9) Uani 1 1 d . . . . .
H18A H 0.362060 0.666789 0.109729 0.109 Uiso 1 1 calc R U . . .
H18B H 0.403300 0.523458 0.096089 0.109 Uiso 1 1 calc R U . . .
H18C H 0.524808 0.622552 0.117257 0.109 Uiso 1 1 calc R U . . .
C19 C 0.3493(4) 0.7491(3) 0.73826(17) 0.0677(8) Uani 1 1 d . . . . .
H19A H 0.338776 0.661685 0.753601 0.101 Uiso 1 1 calc R U . . .
H19B H 0.257488 0.792205 0.743624 0.101 Uiso 1 1 calc R U . . .
H19C H 0.421008 0.789996 0.769753 0.101 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 H1 0.8200 . ?
O1 C5 1.421(3) . ?
O2 H2 0.8200 . ?
O2 C9 1.447(2) . ?
O3 H3 0.8200 . ?
O3 C16 1.419(3) . ?
C1 C2 1.513(3) . ?
C1 C3 1.398(3) . ?
C1 C7 1.385(3) . ?
C2 H2A 0.9800 . ?
C2 C5 1.527(3) . ?
C2 C11 1.537(3) . ?
C3 H3A 0.9300 . ?
C3 C14 1.395(3) . ?
C4 H4 0.9300 . ?
C4 C6 1.387(3) . ?
C4 C7 1.386(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C14 1.399(3) . ?
C6 C16 1.516(3) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C8 C12 1.384(4) . ?
C8 C13 1.379(4) . ?
C9 H9 0.9800 . ?
C9 C10 1.512(3) . ?
C9 C11 1.517(3) . ?
C10 C12 1.389(3) . ?
C10 C15 1.389(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12 0.9300 . ?
C13 C17 1.385(4) . ?
C13 C18 1.506(4) . ?
C14 C19 1.512(4) . ?
C15 H15 0.9300 . ?
C15 C17 1.382(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 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
C5 O1 H1 109.5 . . ?
C9 O2 H2 109.5 . . ?
C16 O3 H3 109.5 . . ?
C3 C1 C2 121.53(18) . . ?
C7 C1 C2 120.72(18) . . ?
C7 C1 C3 117.68(19) . . ?
C1 C2 H2A 107.3 . . ?
C1 C2 C5 110.51(17) . . ?
C1 C2 C11 113.78(16) . . ?
C5 C2 H2A 107.3 . . ?
C5 C2 C11 110.45(17) . . ?
C11 C2 H2A 107.3 . . ?
C1 C3 H3A 119.0 . . ?
C14 C3 C1 122.1(2) . . ?
C14 C3 H3A 119.0 . . ?
C6 C4 H4 119.4 . . ?
C7 C4 H4 119.4 . . ?
C7 C4 C6 121.2(2) . . ?
O1 C5 C2 111.50(19) . . ?
O1 C5 H5A 109.3 . . ?
O1 C5 H5B 109.3 . . ?
C2 C5 H5A 109.3 . . ?
C2 C5 H5B 109.3 . . ?
H5A C5 H5B 108.0 . . ?
C4 C6 C14 119.0(2) . . ?
C4 C6 C16 120.9(2) . . ?
C14 C6 C16 120.05(19) . . ?
C1 C7 C4 121.01(18) . . ?
C1 C7 H7 119.5 . . ?
C4 C7 H7 119.5 . . ?
C12 C8 H8 119.2 . . ?
C13 C8 H8 119.2 . . ?
C13 C8 C12 121.5(2) . . ?
O2 C9 H9 108.7 . . ?
O2 C9 C10 109.62(18) . . ?
O2 C9 C11 105.32(16) . . ?
C10 C9 H9 108.7 . . ?
C10 C9 C11 115.70(17) . . ?
C11 C9 H9 108.7 . . ?
C12 C10 C9 120.54(19) . . ?
C15 C10 C9 121.9(2) . . ?
C15 C10 C12 117.4(2) . . ?
C2 C11 H11A 108.7 . . ?
C2 C11 H11B 108.7 . . ?
C9 C11 C2 114.19(16) . . ?
C9 C11 H11A 108.7 . . ?
C9 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C8 C12 C10 121.0(2) . . ?
C8 C12 H12 119.5 . . ?
C10 C12 H12 119.5 . . ?
C8 C13 C17 117.4(2) . . ?
C8 C13 C18 121.8(3) . . ?
C17 C13 C18 120.8(3) . . ?
C3 C14 C6 119.05(19) . . ?
C3 C14 C19 120.0(2) . . ?
C6 C14 C19 120.9(2) . . ?
C10 C15 H15 119.5 . . ?
C17 C15 C10 121.0(2) . . ?
C17 C15 H15 119.5 . . ?
O3 C16 C6 114.12(18) . . ?
O3 C16 H16A 108.7 . . ?
O3 C16 H16B 108.7 . . ?
C6 C16 H16A 108.7 . . ?
C6 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C13 C17 H17 119.2 . . ?
C15 C17 C13 121.5(2) . . ?
C15 C17 H17 119.2 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
O2 C9 C10 C12 101.6(2) . . . . ?
O2 C9 C10 C15 -74.3(3) . . . . ?
O2 C9 C11 C2 -179.11(17) . . . . ?
C1 C2 C5 O1 -165.95(16) . . . . ?
C1 C2 C11 C9 60.8(2) . . . . ?
C1 C3 C14 C6 0.7(3) . . . . ?
C1 C3 C14 C19 -176.6(2) . . . . ?
C2 C1 C3 C14 175.30(19) . . . . ?
C2 C1 C7 C4 -176.16(17) . . . . ?
C3 C1 C2 C5 -59.2(2) . . . . ?
C3 C1 C2 C11 65.7(2) . . . . ?
C3 C1 C7 C4 0.8(3) . . . . ?
C4 C6 C14 C3 1.1(3) . . . . ?
C4 C6 C14 C19 178.3(2) . . . . ?
C4 C6 C16 O3 -9.5(3) . . . . ?
C5 C2 C11 C9 -174.27(17) . . . . ?
C6 C4 C7 C1 1.0(3) . . . . ?
C7 C1 C2 C5 117.7(2) . . . . ?
C7 C1 C2 C11 -117.4(2) . . . . ?
C7 C1 C3 C14 -1.6(3) . . . . ?
C7 C4 C6 C14 -1.9(3) . . . . ?
C7 C4 C6 C16 176.07(19) . . . . ?
C8 C13 C17 C15 2.2(4) . . . . ?
C9 C10 C12 C8 -173.0(2) . . . . ?
C9 C10 C15 C17 173.7(2) . . . . ?
C10 C9 C11 C2 59.7(2) . . . . ?
C10 C15 C17 C13 -0.3(4) . . . . ?
C11 C2 C5 O1 67.2(2) . . . . ?
C11 C9 C10 C12 -139.5(2) . . . . ?
C11 C9 C10 C15 44.6(3) . . . . ?
C12 C8 C13 C17 -1.5(4) . . . . ?
C12 C8 C13 C18 176.7(3) . . . . ?
C12 C10 C15 C17 -2.4(4) . . . . ?
C13 C8 C12 C10 -1.2(4) . . . . ?
C14 C6 C16 O3 168.48(19) . . . . ?
C15 C10 C12 C8 3.1(3) . . . . ?
C16 C6 C14 C3 -176.9(2) . . . . ?
C16 C6 C14 C19 0.3(3) . . . . ?
C18 C13 C17 C15 -176.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.190
_oxdiff_exptl_absorpt_empirical_full_min 0.729
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethyl acetate/petroleum ether'
