# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_c27
_audit_block_doi                 10.5517/ccdc.csd.cc29ys35
_database_code_depnum_ccdc_archive 'CCDC 2143777'
loop_
_audit_author_name
_audit_author_address
'Jianhua Liao'
;Gannan Medical University
China
;
_audit_update_record             
;
2022-01-22 deposited with the CCDC.	2022-06-01 downloaded from the CCDC.
;
_audit_creation_date             2021-11-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H23 N O2'
_chemical_formula_sum            'C27 H23 N O2'
_chemical_formula_weight         393.46
_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'

_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                   12.8323(13)
_cell_length_b                   19.3019(19)
_cell_length_c                   8.5975(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.276(10)
_cell_angle_gamma                90
_cell_volume                     2088.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3559
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      28.1150
_cell_measurement_theta_min      2.4150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70933
_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            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8967
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_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    -44.00  65.00   1.00    4.00    --  -11.59  77.00-150.00  109
  2  ω     -4.00  37.00   1.00    4.00    --   12.05 -99.00  60.00   41
  3  ω     35.00  81.00   1.00    4.00    --   12.05-178.00  60.00   46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0000499000
_diffrn_orient_matrix_UB_12      -0.0311811000
_diffrn_orient_matrix_UB_13      -0.0436479000
_diffrn_orient_matrix_UB_21      -0.0559377000
_diffrn_orient_matrix_UB_22      -0.0023919000
_diffrn_orient_matrix_UB_23      -0.0071476000
_diffrn_orient_matrix_UB_31      -0.0072768000
_diffrn_orient_matrix_UB_32      0.0193368000
_diffrn_orient_matrix_UB_33      -0.0714019000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2783
_reflns_number_total             3673
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.225
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3673
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0576
_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)+(0.0681P)²+0.6720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1446
_refine_ls_wR_factor_ref         0.1581
_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:
 C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21),
 C22(H22), C23(H23), C24(H24), C25(H25)
2.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C)
;
_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
O1 O 0.80172(13) 0.81641(8) 0.39279(18) 0.0376(4) Uani 1 1 d . . . . .
O2 O 0.64752(14) 0.80423(9) 0.2324(2) 0.0493(5) Uani 1 1 d . . . . .
N1 N 0.3555(2) 0.67725(14) 0.5603(3) 0.0657(7) Uani 1 1 d . . . . .
C1 C 0.88955(18) 0.78960(11) 0.4937(2) 0.0314(5) Uani 1 1 d . . . . .
C2 C 0.9691(2) 0.83612(12) 0.5546(3) 0.0372(6) Uani 1 1 d . . . . .
C3 C 1.05643(19) 0.81002(13) 0.6581(3) 0.0404(6) Uani 1 1 d . . . . .
H3 H 1.110230 0.840485 0.702464 0.048 Uiso 1 1 calc R U . . .
C4 C 1.06762(18) 0.73994(13) 0.6992(3) 0.0376(6) Uani 1 1 d . . . . .
C5 C 0.98698(17) 0.69546(12) 0.6319(2) 0.0313(5) Uani 1 1 d . . . . .
H5 H 0.993046 0.648520 0.656398 0.038 Uiso 1 1 calc R U . . .
C6 C 0.89681(17) 0.71921(11) 0.5282(2) 0.0286(5) Uani 1 1 d . . . . .
C7 C 0.81202(17) 0.67412(11) 0.4484(2) 0.0273(5) Uani 1 1 d . . . . .
C8 C 0.72789(17) 0.70099(11) 0.3469(2) 0.0302(5) Uani 1 1 d . . . . .
C9 C 0.72001(19) 0.77512(12) 0.3180(3) 0.0347(5) Uani 1 1 d . . . . .
C10 C 0.63975(18) 0.65770(12) 0.2547(2) 0.0333(5) Uani 1 1 d . . . . .
H10A H 0.669886 0.614636 0.225645 0.040 Uiso 1 1 calc R U . . .
H10B H 0.610016 0.681943 0.157332 0.040 Uiso 1 1 calc R U . . .
C11 C 0.54881(18) 0.64029(12) 0.3415(3) 0.0370(6) Uani 1 1 d . . . . .
H11 H 0.581273 0.617657 0.441232 0.044 Uiso 1 1 calc R U . . .
C12 C 0.4929(2) 0.70470(13) 0.3853(3) 0.0437(6) Uani 1 1 d . . . . .
H12A H 0.545314 0.736794 0.441321 0.052 Uiso 1 1 calc R U . . .
H12B H 0.456321 0.727326 0.289268 0.052 Uiso 1 1 calc R U . . .
C13 C 0.4166(2) 0.68771(14) 0.4849(3) 0.0456(6) Uani 1 1 d . . . . .
C14 C 0.47590(18) 0.58731(12) 0.2452(3) 0.0364(6) Uani 1 1 d . . . . .
C15 C 0.3953(2) 0.60585(15) 0.1216(3) 0.0546(7) Uani 1 1 d . . . . .
H15 H 0.381803 0.652435 0.098253 0.066 Uiso 1 1 calc R U . . .
C16 C 0.3340(3) 0.55540(19) 0.0317(4) 0.0694(9) Uani 1 1 d . . . . .
H16 H 0.279903 0.568434 -0.051617 0.083 Uiso 1 1 calc R U . . .
C17 C 0.3525(3) 0.48689(18) 0.0645(4) 0.0634(9) Uani 1 1 d . . . . .
H17 H 0.311078 0.453222 0.004433 0.076 Uiso 1 1 calc R U . . .
C18 C 0.4320(2) 0.46837(14) 0.1857(4) 0.0571(8) Uani 1 1 d . . . . .
H18 H 0.445146 0.421721 0.208568 0.069 Uiso 1 1 calc R U . . .
C19 C 0.4936(2) 0.51825(13) 0.2755(3) 0.0451(6) Uani 1 1 d . . . . .
H19 H 0.548003 0.504668 0.357941 0.054 Uiso 1 1 calc R U . . .
C20 C 0.82289(16) 0.59753(11) 0.4701(2) 0.0274(5) Uani 1 1 d . . . . .
C21 C 0.77966(18) 0.56171(11) 0.5808(3) 0.0341(5) Uani 1 1 d . . . . .
H21 H 0.746582 0.585771 0.651393 0.041 Uiso 1 1 calc R U . . .
C22 C 0.7852(2) 0.49021(12) 0.5876(3) 0.0396(6) Uani 1 1 d . . . . .
H22 H 0.756043 0.466469 0.662964 0.048 Uiso 1 1 calc R U . . .
C23 C 0.8334(2) 0.45408(12) 0.4838(3) 0.0432(6) Uani 1 1 d . . . . .
H23 H 0.835326 0.405922 0.486524 0.052 Uiso 1 1 calc R U . . .
C24 C 0.8786(3) 0.48952(13) 0.3762(3) 0.0563(8) Uani 1 1 d . . . . .
H24 H 0.912740 0.465353 0.307077 0.068 Uiso 1 1 calc R U . . .
C25 C 0.8738(2) 0.56077(13) 0.3695(3) 0.0482(7) Uani 1 1 d . . . . .
H25 H 0.905309 0.584321 0.296361 0.058 Uiso 1 1 calc R U . . .
C26 C 1.1650(2) 0.71346(15) 0.8083(3) 0.0503(7) Uani 1 1 d . . . . .
H26A H 1.151304 0.667960 0.844744 0.075 Uiso 1 1 calc R U . . .
H26B H 1.183169 0.744049 0.897536 0.075 Uiso 1 1 calc R U . . .
H26C H 1.222834 0.711392 0.752581 0.075 Uiso 1 1 calc R U . . .
C27 C 0.9626(2) 0.91124(13) 0.5053(3) 0.0521(7) Uani 1 1 d . . . . .
H27A H 0.970526 0.914919 0.396866 0.078 Uiso 1 1 calc R U . . .
H27B H 1.018292 0.936822 0.571870 0.078 Uiso 1 1 calc R U . . .
H27C H 0.894945 0.929790 0.515855 0.078 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 C1 1.381(3) . ?
O1 C9 1.373(3) . ?
O2 C9 1.206(3) . ?
N1 C13 1.128(3) . ?
C1 C2 1.383(3) . ?
C1 C6 1.390(3) . ?
C2 C3 1.383(3) . ?
C2 C27 1.508(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.398(4) . ?
C4 C5 1.382(3) . ?
C4 C26 1.498(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.393(3) . ?
C6 C7 1.456(3) . ?
C7 C8 1.352(3) . ?
C7 C20 1.493(3) . ?
C8 C9 1.452(3) . ?
C8 C10 1.502(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.540(3) . ?
C11 H11 0.9800 . ?
C11 C12 1.519(3) . ?
C11 C14 1.518(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.460(4) . ?
C14 C15 1.378(4) . ?
C14 C19 1.369(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.363(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.355(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.382(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.378(3) . ?
C20 C25 1.378(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.372(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.367(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.377(3) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
C9 O1 C1 122.09(18) . . ?
O1 C1 C2 116.5(2) . . ?
O1 C1 C6 120.9(2) . . ?
C2 C1 C6 122.7(2) . . ?
C1 C2 C27 121.4(2) . . ?
C3 C2 C1 116.9(2) . . ?
C3 C2 C27 121.6(2) . . ?
C2 C3 H3 118.5 . . ?
C2 C3 C4 123.0(2) . . ?
C4 C3 H3 118.5 . . ?
C3 C4 C26 121.3(2) . . ?
C5 C4 C3 117.6(2) . . ?
C5 C4 C26 121.0(2) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.6(2) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 118.1(2) . . ?
C1 C6 C7 118.1(2) . . ?
C5 C6 C7 123.8(2) . . ?
C6 C7 C20 119.33(19) . . ?
C8 C7 C6 120.26(19) . . ?
C8 C7 C20 120.24(19) . . ?
C7 C8 C9 120.6(2) . . ?
C7 C8 C10 123.45(19) . . ?
C9 C8 C10 116.0(2) . . ?
O1 C9 C8 118.1(2) . . ?
O2 C9 O1 116.3(2) . . ?
O2 C9 C8 125.7(2) . . ?
C8 C10 H10A 108.4 . . ?
C8 C10 H10B 108.4 . . ?
C8 C10 C11 115.46(17) . . ?
H10A C10 H10B 107.5 . . ?
C11 C10 H10A 108.4 . . ?
C11 C10 H10B 108.4 . . ?
C10 C11 H11 106.8 . . ?
C12 C11 C10 112.36(19) . . ?
C12 C11 H11 106.8 . . ?
C14 C11 C10 109.13(17) . . ?
C14 C11 H11 106.8 . . ?
C14 C11 C12 114.6(2) . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C13 C12 C11 111.4(2) . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
N1 C13 C12 177.0(3) . . ?
C15 C14 C11 122.4(2) . . ?
C19 C14 C11 119.4(2) . . ?
C19 C14 C15 118.1(2) . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.3(3) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
C14 C19 C18 121.1(3) . . ?
C14 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C21 C20 C7 122.85(18) . . ?
C25 C20 C7 118.41(18) . . ?
C25 C20 C21 118.7(2) . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.37(19) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.4(2) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.7(2) . . ?
C24 C25 H25 119.7 . . ?
C4 C26 H26A 109.5 . . ?
C4 C26 H26B 109.5 . . ?
C4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C2 C27 H27A 109.5 . . ?
C2 C27 H27B 109.5 . . ?
C2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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 178.77(16) . . . . ?
O1 C1 C2 C27 -3.5(3) . . . . ?
O1 C1 C6 C5 -179.45(16) . . . . ?
O1 C1 C6 C7 3.3(3) . . . . ?
C1 O1 C9 O2 -179.85(17) . . . . ?
C1 O1 C9 C8 -0.3(3) . . . . ?
C1 C2 C3 C4 1.4(3) . . . . ?
C1 C6 C7 C8 -1.6(3) . . . . ?
C1 C6 C7 C20 173.72(17) . . . . ?
C2 C1 C6 C5 1.7(3) . . . . ?
C2 C1 C6 C7 -175.49(17) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C2 C3 C4 C26 178.25(19) . . . . ?
C3 C4 C5 C6 -0.8(3) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C4 C5 C6 C7 176.99(17) . . . . ?
C5 C6 C7 C8 -178.69(17) . . . . ?
C5 C6 C7 C20 -3.4(3) . . . . ?
C6 C1 C2 C3 -2.4(3) . . . . ?
C6 C1 C2 C27 175.35(19) . . . . ?
C6 C7 C8 C9 -1.0(3) . . . . ?
C6 C7 C8 C10 177.25(17) . . . . ?
C6 C7 C20 C21 95.7(2) . . . . ?
C6 C7 C20 C25 -87.6(3) . . . . ?
C7 C8 C9 O1 2.0(3) . . . . ?
C7 C8 C9 O2 -178.5(2) . . . . ?
C7 C8 C10 C11 86.3(3) . . . . ?
C7 C20 C21 C22 175.0(2) . . . . ?
C7 C20 C25 C24 -174.8(3) . . . . ?
C8 C7 C20 C21 -88.9(3) . . . . ?
C8 C7 C20 C25 87.7(3) . . . . ?
C8 C10 C11 C12 60.9(3) . . . . ?
C8 C10 C11 C14 -170.89(19) . . . . ?
C9 O1 C1 C2 176.48(17) . . . . ?
C9 O1 C1 C6 -2.4(3) . . . . ?
C9 C8 C10 C11 -95.3(2) . . . . ?
C10 C8 C9 O1 -176.39(16) . . . . ?
C10 C8 C9 O2 3.1(3) . . . . ?
C10 C11 C12 C13 -172.6(2) . . . . ?
C10 C11 C14 C15 -84.3(3) . . . . ?
C10 C11 C14 C19 92.2(2) . . . . ?
C11 C14 C15 C16 176.7(2) . . . . ?
C11 C14 C19 C18 -177.0(2) . . . . ?
C12 C11 C14 C15 42.7(3) . . . . ?
C12 C11 C14 C19 -140.9(2) . . . . ?
C14 C11 C12 C13 62.1(3) . . . . ?
C14 C15 C16 C17 0.2(4) . . . . ?
C15 C14 C19 C18 -0.5(3) . . . . ?
C15 C16 C17 C18 -0.4(4) . . . . ?
C16 C17 C18 C19 0.1(4) . . . . ?
C17 C18 C19 C14 0.3(4) . . . . ?
C19 C14 C15 C16 0.3(4) . . . . ?
C20 C7 C8 C9 -176.28(17) . . . . ?
C20 C7 C8 C10 2.0(3) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
C21 C20 C25 C24 2.0(4) . . . . ?
C21 C22 C23 C24 1.8(4) . . . . ?
C22 C23 C24 C25 -1.4(4) . . . . ?
C23 C24 C25 C20 -0.5(5) . . . . ?
C25 C20 C21 C22 -1.6(4) . . . . ?
C26 C4 C5 C6 -178.95(18) . . . . ?
C27 C2 C3 C4 -176.30(19) . . . . ?

_olex2_date_sample_data_collection 2021-11-16
_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 1.421
_oxdiff_exptl_absorpt_empirical_full_min 0.681
