# Electronic Supplementary Material (ESI) for ChemComm.
# 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_liuc_0323
_database_code_depnum_ccdc_archive 'CCDC 2011205'
loop_
_audit_author_name
_audit_author_address
'Ce Liu'
;Lanzhou University
China
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2022-02-08 downloaded from the CCDC.
;
_audit_creation_date             2020-03-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H14 O'
_chemical_formula_sum            'C16 H14 O'
_chemical_formula_weight         222.27
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.9314(10)
_cell_length_b                   5.2194(3)
_cell_length_c                   13.7603(8)
_cell_angle_alpha                90
_cell_angle_beta                 105.149(6)
_cell_angle_gamma                90
_cell_volume                     1173.76(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3008
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      69.8240
_cell_measurement_theta_min      6.6630
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
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    1.258
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8338
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        66.599
_diffrn_reflns_theta_max         66.599
_diffrn_reflns_theta_min         6.506
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -2.00  25.00   1.00    1.00    --    0.00  57.00   0.00   27
  2  ω     29.00  63.00   1.00    1.00    --    0.00  57.00   0.00   34
  3  ω     31.00  69.00   1.00    1.00    --    0.00  57.00 -90.00   38
  4  ω     35.00  63.00   1.00    1.00    --   54.00  77.00-120.00   28
  5  ω     36.00 118.00   1.00    1.00    --   54.00  57.00-120.00   82
  6  ω     79.00 104.00   1.00    2.00    --  108.00  77.00 -90.00   25
  7  ω    119.00 177.00   1.00    2.00    --  108.00  77.00-120.00   58
  8  ω    124.00 150.00   1.00    2.00    --  108.00 101.00 -13.00   26
  9  ω    150.00 177.00   1.00    2.00    --  108.00 111.00   0.00   27
 10  ω    121.00 174.00   1.00    2.00    --  108.00  77.00 -90.00   53
 11  ω    120.00 175.00   1.00    2.00    --  108.00  77.00-180.00   55
 12  ω    117.00 176.00   1.00    2.00    --  108.00  77.00-150.00   59
 13  ω    117.00 178.00   1.00    2.00    --  108.00  77.00 -30.00   61
 14  ω    122.00 174.00   1.00    2.00    --  108.00 111.00  30.00   52
 15  ω    100.00 147.00   1.00    2.00    --  108.00 111.00   0.00   47
 16  ω     91.00 119.00   1.00    2.00    --  108.00  50.00 -60.00   28
 17  ω     86.00 172.00   1.00    2.00    --  108.00  63.00 -60.00   86
 18  ω     94.00 121.00   1.00    2.00    --  108.00  50.00-120.00   27
 19  ω     87.00 115.00   1.00    2.00    --  108.00  63.00-150.00   28
 20  ω     88.00 116.00   1.00    2.00    --  108.00  50.00-150.00   28
 21  ω     82.00 109.00   1.00    2.00    --  108.00  38.00 -90.00   27
 22  ω     88.00 114.00   1.00    2.00    --  108.00  63.00 -90.00   26
 23  ω     83.00 109.00   1.00    2.00    --  108.00  38.00-120.00   26
 24  ω     83.00 108.00   1.00    2.00    --  108.00  38.00-150.00   25
 25  ω     87.00 112.00   1.00    2.00    --  108.00  63.00-180.00   25
 26  ω     80.00 107.00   1.00    2.00    --  108.00  77.00-150.00   27
 27  ω     79.00 104.00   1.00    2.00    --  108.00  77.00-180.00   25
 28  ω     78.00 104.00   1.00    2.00    --  108.00  77.00-120.00   26
 29  ω     86.00 117.00   1.00    2.00    --  108.00  50.00 -90.00   31
 30  ω     82.00 108.00   1.00    2.00    --  108.00  38.00 -60.00   26
 31  ω     83.00 110.00   1.00    2.00    --  108.00  38.00 -30.00   27
 32  ω     36.00  72.00   1.00    1.00    --   54.00 -57.00-120.00   36
 33  ω     27.00 104.00   1.00    1.00    --   54.00-125.00-120.00   77
 34  ω     49.00 138.00   1.00    2.00    --  108.00 -77.00  60.00   89
 35  ω     86.00 172.00   1.00    2.00    --  108.00  77.00 150.00   86
 36  ω     26.00  73.00   1.00    1.00    --   54.00  77.00 -60.00   47
 37  ω     15.00 125.00   1.00    1.00    --   54.00  19.00-180.00  110
 38  ω     -9.00  72.00   1.00    1.00    --   54.00 -57.00   0.00   81
 39  ω    -14.00  28.00   1.00    1.00    --    0.00  57.00 -90.00   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0372058000
_diffrn_orient_matrix_UB_12      -0.0595967000
_diffrn_orient_matrix_UB_13      0.0883951000
_diffrn_orient_matrix_UB_21      0.0819465000
_diffrn_orient_matrix_UB_22      -0.1175576000
_diffrn_orient_matrix_UB_23      0.0591945000
_diffrn_orient_matrix_UB_31      0.0280163000
_diffrn_orient_matrix_UB_32      0.2640572000
_diffrn_orient_matrix_UB_33      0.0462774000
_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              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1703
_reflns_number_total             2086
_reflns_odcompleteness_completeness 99.87
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.116
_refine_diff_density_rms         0.028
_refine_ls_extinction_coef       0.0030(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2086
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.046
_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)+(0.0756P)²+0.0610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1169
_refine_ls_wR_factor_ref         0.1244
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C14(H14)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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 0.03108(6) 0.24647(19) 0.29447(8) 0.0694(3) Uani 1 1 d . . . . .
H1 H 0.010614 0.116620 0.264769 0.104 Uiso 1 1 calc R U . . .
C1 C 0.16119(7) 0.4192(2) 0.37624(8) 0.0471(3) Uani 1 1 d . . . . .
C2 C 0.11474(8) 0.2413(2) 0.30736(9) 0.0531(3) Uani 1 1 d . . . . .
C3 C 0.15038(9) 0.0754(3) 0.25470(10) 0.0610(4) Uani 1 1 d . . . . .
H3 H 0.118400 -0.038874 0.209090 0.073 Uiso 1 1 calc R U . . .
C4 C 0.23490(10) 0.0788(3) 0.26989(10) 0.0648(4) Uani 1 1 d . . . . .
H4 H 0.259499 -0.036259 0.235239 0.078 Uiso 1 1 calc R U . . .
C5 C 0.28208(9) 0.2496(3) 0.33527(11) 0.0603(4) Uani 1 1 d . . . . .
H5 H 0.338450 0.250133 0.344116 0.072 Uiso 1 1 calc R U . . .
C6 C 0.24684(8) 0.4248(2) 0.38944(9) 0.0492(3) Uani 1 1 d . . . . .
C7 C 0.29428(8) 0.6094(2) 0.45985(9) 0.0497(3) Uani 1 1 d . . . . .
C8 C 0.25517(8) 0.7727(2) 0.51498(9) 0.0490(3) Uani 1 1 d . . . . .
C9 C 0.16787(8) 0.7576(2) 0.50063(9) 0.0480(3) Uani 1 1 d . . . . .
C10 C 0.12425(7) 0.5871(2) 0.43360(9) 0.0495(3) Uani 1 1 d . . . . .
H10 H 0.067912 0.579022 0.424506 0.059 Uiso 1 1 calc R U . . .
C11 C 0.37956(8) 0.6343(3) 0.47542(11) 0.0640(4) Uani 1 1 d . . . . .
H11 H 0.406338 0.530410 0.439262 0.077 Uiso 1 1 calc R U . . .
C12 C 0.42389(9) 0.8076(3) 0.54248(12) 0.0695(4) Uani 1 1 d . . . . .
H12 H 0.480174 0.817921 0.551414 0.083 Uiso 1 1 calc R U . . .
C13 C 0.38632(9) 0.9694(3) 0.59777(11) 0.0624(4) Uani 1 1 d . . . . .
C14 C 0.30308(9) 0.9501(3) 0.58296(10) 0.0570(3) Uani 1 1 d . . . . .
H14 H 0.277357 1.057842 0.619020 0.068 Uiso 1 1 calc R U . . .
C15 C 0.12554(9) 0.9319(3) 0.55827(11) 0.0610(4) Uani 1 1 d . . . . .
H15A H 0.151586 0.918337 0.628961 0.091 Uiso 1 1 calc R U . . .
H15B H 0.069127 0.882820 0.545821 0.091 Uiso 1 1 calc R U . . .
H15C H 0.128902 1.105582 0.536759 0.091 Uiso 1 1 calc R U . . .
C16 C 0.43606(11) 1.1618(4) 0.67111(14) 0.0813(5) Uani 1 1 d . . . . .
H16A H 0.406149 1.319559 0.666569 0.122 Uiso 1 1 calc R U . . .
H16B H 0.487072 1.192466 0.654933 0.122 Uiso 1 1 calc R U . . .
H16C H 0.446500 1.095460 0.738342 0.122 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 C2 1.3811(16) . ?
C1 C2 1.4106(18) . ?
C1 C6 1.4139(17) . ?
C1 C10 1.4286(17) . ?
C2 C3 1.3666(19) . ?
C3 H3 0.9300 . ?
C3 C4 1.391(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.366(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.4072(18) . ?
C6 C7 1.4509(18) . ?
C7 C8 1.4153(18) . ?
C7 C11 1.4092(18) . ?
C8 C9 1.4412(17) . ?
C8 C14 1.4123(18) . ?
C9 C10 1.3535(17) . ?
C9 C15 1.5057(17) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.368(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.396(2) . ?
C13 C14 1.374(2) . ?
C13 C16 1.514(2) . ?
C14 H14 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 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
C2 O1 H1 109.5 . . ?
C2 C1 C6 118.23(11) . . ?
C2 C1 C10 121.83(12) . . ?
C6 C1 C10 119.92(11) . . ?
O1 C2 C1 116.52(11) . . ?
C3 C2 O1 121.64(12) . . ?
C3 C2 C1 121.83(13) . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.45(13) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.57(13) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.13(13) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C7 118.02(11) . . ?
C5 C6 C1 118.76(12) . . ?
C5 C6 C7 123.21(12) . . ?
C8 C7 C6 120.19(11) . . ?
C11 C7 C6 121.96(12) . . ?
C11 C7 C8 117.86(12) . . ?
C7 C8 C9 120.04(11) . . ?
C14 C8 C7 118.80(12) . . ?
C14 C8 C9 121.16(12) . . ?
C8 C9 C15 120.48(11) . . ?
C10 C9 C8 119.12(11) . . ?
C10 C9 C15 120.39(12) . . ?
C1 C10 H10 118.7 . . ?
C9 C10 C1 122.69(12) . . ?
C9 C10 H10 118.7 . . ?
C7 C11 H11 119.2 . . ?
C12 C11 C7 121.56(14) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121.32(14) . . ?
C13 C12 H12 119.3 . . ?
C12 C13 C16 120.74(14) . . ?
C14 C13 C12 118.07(13) . . ?
C14 C13 C16 121.19(15) . . ?
C8 C14 H14 118.8 . . ?
C13 C14 C8 122.39(13) . . ?
C13 C14 H14 118.8 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 C2 C3 C4 179.57(12) . . . . ?
C1 C2 C3 C4 0.77(19) . . . . ?
C1 C6 C7 C8 1.65(16) . . . . ?
C1 C6 C7 C11 -177.92(11) . . . . ?
C2 C1 C6 C5 -1.40(16) . . . . ?
C2 C1 C6 C7 179.58(10) . . . . ?
C2 C1 C10 C9 179.44(11) . . . . ?
C2 C3 C4 C5 -1.3(2) . . . . ?
C3 C4 C5 C6 0.5(2) . . . . ?
C4 C5 C6 C1 0.88(19) . . . . ?
C4 C5 C6 C7 179.85(12) . . . . ?
C5 C6 C7 C8 -177.33(11) . . . . ?
C5 C6 C7 C11 3.10(19) . . . . ?
C6 C1 C2 O1 -178.26(10) . . . . ?
C6 C1 C2 C3 0.60(18) . . . . ?
C6 C1 C10 C9 0.85(17) . . . . ?
C6 C7 C8 C9 -0.56(16) . . . . ?
C6 C7 C8 C14 179.96(10) . . . . ?
C6 C7 C11 C12 -179.54(12) . . . . ?
C7 C8 C9 C10 -0.42(16) . . . . ?
C7 C8 C9 C15 -179.51(11) . . . . ?
C7 C8 C14 C13 -0.21(18) . . . . ?
C7 C11 C12 C13 -0.6(2) . . . . ?
C8 C7 C11 C12 0.9(2) . . . . ?
C8 C9 C10 C1 0.29(17) . . . . ?
C9 C8 C14 C13 -179.69(11) . . . . ?
C10 C1 C2 O1 3.13(17) . . . . ?
C10 C1 C2 C3 -178.01(11) . . . . ?
C10 C1 C6 C5 177.24(11) . . . . ?
C10 C1 C6 C7 -1.78(16) . . . . ?
C11 C7 C8 C9 179.03(11) . . . . ?
C11 C7 C8 C14 -0.45(17) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
C11 C12 C13 C16 -179.51(14) . . . . ?
C12 C13 C14 C8 0.5(2) . . . . ?
C14 C8 C9 C10 179.05(11) . . . . ?
C14 C8 C9 C15 -0.04(17) . . . . ?
C15 C9 C10 C1 179.37(11) . . . . ?
C16 C13 C14 C8 179.93(12) . . . . ?

_olex2_date_sample_data_collection 2020-03-23
_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 1.731
_oxdiff_exptl_absorpt_empirical_full_min 0.664
