# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_gcb01209
_database_code_depnum_ccdc_archive 'CCDC 1949105'
loop_
_audit_author_name
_audit_author_address
'Wenshan ren  wenshan'
;southwest university
China
;
_audit_update_record             
;
2019-08-24 deposited with the CCDC.	2020-09-15 downloaded from the CCDC.
;
_audit_creation_date             2018-12-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H33 N O6'
_chemical_formula_sum            'C33 H33 N O6'
_chemical_formula_weight         539.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 N1 O1'
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'

_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           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.68995(14)
_cell_length_b                   13.39392(17)
_cell_length_c                   31.9706(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5862.19(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    11600
_cell_measurement_temperature    291.49(10)
_cell_measurement_theta_max      72.7400
_cell_measurement_theta_min      4.1150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.38a (Rigaku Oxford Diffraction, 2017)
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    1.223
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22918
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.997
_diffrn_reflns_theta_min         4.252
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      291.49(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0243
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00 -10.00   1.00    1.61    --  -37.03 -77.00-120.00   95
  2  ω    -54.00  30.00   1.00    1.61    --  -37.03  57.00   0.00   84
  3  ω   -105.00 -10.00   1.00    1.61    --  -37.03 -77.00  30.00   95
  4  ω      1.00  76.00   1.00    1.61    --   37.03 -99.00  60.00   75
  5  ω     20.00 104.00   1.00    1.61    --   37.03  57.00  30.00   84
  6  ω     24.00  91.00   1.00    1.61    --   37.03-126.00-180.00   67
  7  ω     44.00 129.00   1.00    6.46    --  110.47 -61.00  30.00   85
  8  ω     41.00 109.00   1.00    6.46    --  110.47 -95.00-120.00   68
  9  ω    101.00 178.00   1.00    6.46    --  110.47 112.00 -30.00   77
 10  ω     41.00 109.00   1.00    6.46    --  110.47 -95.00 -30.00   68
 11  ω     89.00 178.00   1.00    6.46    --  110.47  30.00 -60.00   89
 12  ω   -105.00 -14.00   1.00    1.61    --  -37.03 -77.00 120.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0204914000
_diffrn_orient_matrix_UB_12      0.1128156000
_diffrn_orient_matrix_UB_13      0.0033947000
_diffrn_orient_matrix_UB_21      -0.0596463000
_diffrn_orient_matrix_UB_22      0.0042850000
_diffrn_orient_matrix_UB_23      0.0408194000
_diffrn_orient_matrix_UB_31      0.0932478000
_diffrn_orient_matrix_UB_32      -0.0220262000
_diffrn_orient_matrix_UB_33      0.0253434000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\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                4902
_reflns_number_total             5766
_reflns_odcompleteness_completeness 99.83
_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 1.171.39.38a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.38a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.38a (Rigaku OD, 2017)'
_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         0.162
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5766
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0489
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0715P)²+0.7872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1299
_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 Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C19(H19A,H19B), C30(H30A,H30B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C10(H10), C11(H11), C13(H13), C14(H14), C16(H16), C17(H17),
 C24(H24), C25(H25), C27(H27), C28(H28)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C21(H21A,H21B,H21C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.16904(8) 0.48853(9) 0.40337(4) 0.0640(3) Uani 1 1 d . . . . .
O2 O 0.17244(9) 0.39406(10) 0.46134(4) 0.0752(4) Uani 1 1 d . . . . .
O3 O 0.60228(9) 0.81975(10) 0.68699(3) 0.0675(3) Uani 1 1 d . . . . .
O4 O 0.44773(10) 0.87247(14) 0.68505(4) 0.0911(5) Uani 1 1 d . . . . .
O5 O 0.77361(9) 0.90538(9) 0.35464(3) 0.0672(3) Uani 1 1 d . . . . .
O6 O 0.76197(9) 1.03942(9) 0.39658(4) 0.0720(3) Uani 1 1 d . . . . .
N1 N 0.50904(8) 0.71611(9) 0.49738(4) 0.0471(3) Uani 1 1 d . . . . .
C1 C 0.20287(19) 0.3677(2) 0.33531(9) 0.0942(7) Uani 1 1 d . . . . .
H1A H 0.2535(18) 0.4012(18) 0.3512(7) 0.102(8) Uiso 1 1 d . . . . .
H1B H 0.216(2) 0.329(2) 0.3114(9) 0.127(10) Uiso 1 1 d . . . . .
C2 C 0.02722(19) 0.3257(2) 0.32949(7) 0.1098(9) Uani 1 1 d . . . . .
H2A H -0.001289 0.279004 0.348727 0.165 Uiso 1 1 calc GR . . . .
H2B H 0.048079 0.291058 0.304772 0.165 Uiso 1 1 calc GR . . . .
H2C H -0.020342 0.375321 0.322089 0.165 Uiso 1 1 calc GR . . . .
C3 C 0.11337(13) 0.37522(14) 0.34962(5) 0.0647(4) Uani 1 1 d . . . . .
C4 C 0.08670(11) 0.43453(12) 0.38718(5) 0.0583(4) Uani 1 1 d . . . . .
H4A H 0.035286 0.481266 0.379936 0.070 Uiso 1 1 calc R . . . .
H4B H 0.061717 0.390149 0.408633 0.070 Uiso 1 1 calc R . . . .
C5 C 0.20524(10) 0.46094(10) 0.44077(5) 0.0495(3) Uani 1 1 d . . . . .
C6 C 0.28863(9) 0.52461(10) 0.45336(4) 0.0443(3) Uani 1 1 d . . . . .
C7 C 0.33067(10) 0.50969(10) 0.49245(5) 0.0474(3) Uani 1 1 d . . . . .
H7 H 0.309310 0.457300 0.509206 0.057 Uiso 1 1 calc R . . . .
C8 C 0.40381(10) 0.57198(11) 0.50657(4) 0.0471(3) Uani 1 1 d . . . . .
H8 H 0.431458 0.561171 0.532749 0.057 Uiso 1 1 calc R . . . .
C9 C 0.43671(9) 0.65115(10) 0.48186(4) 0.0423(3) Uani 1 1 d . . . . .
C10 C 0.39676(10) 0.66390(10) 0.44228(4) 0.0474(3) Uani 1 1 d . . . . .
H10 H 0.419524 0.714860 0.425095 0.057 Uiso 1 1 calc R . . . .
C11 C 0.32353(10) 0.60149(11) 0.42828(4) 0.0478(3) Uani 1 1 d . . . . .
H11 H 0.297227 0.610985 0.401756 0.057 Uiso 1 1 calc R . . . .
C12 C 0.50979(10) 0.74178(10) 0.54074(4) 0.0451(3) Uani 1 1 d . . . . .
C13 C 0.42471(10) 0.77189(12) 0.56076(5) 0.0531(3) Uani 1 1 d . . . . .
H13 H 0.365715 0.772646 0.546342 0.064 Uiso 1 1 calc R . . . .
C14 C 0.42828(10) 0.80073(12) 0.60226(5) 0.0547(4) Uani 1 1 d . . . . .
H14 H 0.371493 0.821382 0.615678 0.066 Uiso 1 1 calc R . . . .
C15 C 0.51604(10) 0.79908(11) 0.62406(4) 0.0493(3) Uani 1 1 d . . . . .
C16 C 0.60078(10) 0.76828(11) 0.60392(4) 0.0511(3) Uani 1 1 d . . . . .
H16 H 0.659618 0.766634 0.618441 0.061 Uiso 1 1 calc R . . . .
C17 C 0.59782(10) 0.74007(11) 0.56234(4) 0.0495(3) Uani 1 1 d . . . . .
H17 H 0.654704 0.719966 0.548845 0.059 Uiso 1 1 calc R . . . .
C18 C 0.51611(12) 0.83412(13) 0.66814(5) 0.0590(4) Uani 1 1 d . . . . .
C19 C 0.60731(15) 0.85267(19) 0.73021(5) 0.0830(6) Uani 1 1 d . . . . .
H19A H 0.562279 0.814168 0.747200 0.100 Uiso 1 1 calc R . . . .
H19B H 0.589185 0.922528 0.732142 0.100 Uiso 1 1 calc R . . . .
C20 C 0.70823(14) 0.83860(15) 0.74550(5) 0.0698(5) Uani 1 1 d . . . . .
C21 C 0.78600(19) 0.8968(2) 0.72430(7) 0.0994(7) Uani 1 1 d . . . . .
H21A H 0.792142 0.874684 0.695865 0.149 Uiso 1 1 calc GR . . . .
H21B H 0.846886 0.887000 0.738623 0.149 Uiso 1 1 calc GR . . . .
H21C H 0.769297 0.966414 0.724707 0.149 Uiso 1 1 calc GR . . . .
C22 C 0.7261(2) 0.7807(2) 0.77794(7) 0.0922(7) Uani 1 1 d . . . . .
H22A H 0.795(2) 0.776(2) 0.7892(8) 0.118(9) Uiso 1 1 d . . . . .
H22B H 0.672(2) 0.742(2) 0.7910(8) 0.128(10) Uiso 1 1 d . . . . .
C23 C 0.56818(9) 0.77393(10) 0.47027(4) 0.0427(3) Uani 1 1 d . . . . .
C24 C 0.61470(10) 0.73001(10) 0.43620(4) 0.0459(3) Uani 1 1 d . . . . .
H24 H 0.607545 0.661937 0.431347 0.055 Uiso 1 1 calc R . . . .
C25 C 0.67131(9) 0.78674(11) 0.40960(4) 0.0462(3) Uani 1 1 d . . . . .
H25 H 0.701447 0.756916 0.386723 0.055 Uiso 1 1 calc R . . . .
C26 C 0.68360(9) 0.88875(10) 0.41686(4) 0.0460(3) Uani 1 1 d . . . . .
C27 C 0.63829(10) 0.93183(11) 0.45126(4) 0.0492(3) Uani 1 1 d . . . . .
H27 H 0.646792 0.999567 0.456519 0.059 Uiso 1 1 calc R . . . .
C28 C 0.58090(10) 0.87566(11) 0.47772(4) 0.0480(3) Uani 1 1 d . . . . .
H28 H 0.550658 0.905619 0.500546 0.058 Uiso 1 1 calc R . . . .
C29 C 0.74318(10) 0.95363(11) 0.38916(5) 0.0531(3) Uani 1 1 d . . . . .
C30 C 0.82365(16) 0.96411(16) 0.32286(6) 0.0788(5) Uani 1 1 d . . . . .
H30A H 0.810007 1.034350 0.327378 0.095 Uiso 1 1 calc R . . . .
H30B H 0.798666 0.946106 0.295486 0.095 Uiso 1 1 calc R . . . .
C31 C 0.93145(16) 0.94784(14) 0.32373(6) 0.0753(5) Uani 1 1 d . . . . .
C32 C 0.98452(18) 0.9811(2) 0.36145(9) 0.1098(8) Uani 1 1 d . . . . .
H32A H 0.973838 1.051189 0.365621 0.165 Uiso 1 1 calc GR . . . .
H32B H 1.053107 0.968748 0.357914 0.165 Uiso 1 1 calc GR . . . .
H32C H 0.961117 0.944820 0.385342 0.165 Uiso 1 1 calc GR . . . .
C33 C 0.9753(3) 0.9075(2) 0.29144(10) 0.1122(10) Uani 1 1 d . . . . .
H33A H 1.047(2) 0.903(2) 0.2908(9) 0.132(11) Uiso 1 1 d . . . . .
H33B H 0.932(2) 0.893(2) 0.2693(8) 0.112(10) Uiso 1 1 d . . . . .


_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 C4 1.4358(17) . ?
O1 C5 1.3462(18) . ?
O2 C5 1.1986(18) . ?
O3 C18 1.339(2) . ?
O3 C19 1.4521(19) . ?
O4 C18 1.197(2) . ?
O5 C29 1.3451(19) . ?
O5 C30 1.4562(19) . ?
O6 C29 1.2011(18) . ?
N1 C9 1.4084(16) . ?
N1 C12 1.4281(17) . ?
N1 C23 1.4164(17) . ?
C1 C3 1.312(3) . ?
C2 C3 1.498(3) . ?
C3 C4 1.485(2) . ?
C5 C6 1.4806(18) . ?
C6 C7 1.390(2) . ?
C6 C11 1.3898(19) . ?
C7 C8 1.3793(19) . ?
C8 C9 1.3969(19) . ?
C9 C10 1.3891(19) . ?
C10 C11 1.3799(18) . ?
C12 C13 1.3888(19) . ?
C12 C17 1.3892(19) . ?
C13 C14 1.383(2) . ?
C14 C15 1.389(2) . ?
C15 C16 1.389(2) . ?
C15 C18 1.485(2) . ?
C16 C17 1.3827(19) . ?
C19 C20 1.478(3) . ?
C20 C21 1.484(3) . ?
C20 C22 1.318(3) . ?
C23 C24 1.3922(19) . ?
C23 C28 1.3943(19) . ?
C24 C25 1.3788(19) . ?
C25 C26 1.396(2) . ?
C26 C27 1.388(2) . ?
C26 C29 1.485(2) . ?
C27 C28 1.378(2) . ?
C30 C31 1.492(3) . ?
C31 C32 1.476(3) . ?
C31 C33 1.311(3) . ?

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 C4 118.10(12) . . ?
C18 O3 C19 115.26(14) . . ?
C29 O5 C30 117.31(14) . . ?
C9 N1 C12 119.71(11) . . ?
C9 N1 C23 121.60(11) . . ?
C23 N1 C12 117.27(11) . . ?
C1 C3 C2 123.5(2) . . ?
C1 C3 C4 123.53(18) . . ?
C4 C3 C2 112.98(17) . . ?
O1 C4 C3 111.58(13) . . ?
O1 C5 C6 111.54(12) . . ?
O2 C5 O1 123.69(13) . . ?
O2 C5 C6 124.76(14) . . ?
C7 C6 C5 118.73(12) . . ?
C11 C6 C5 122.35(13) . . ?
C11 C6 C7 118.86(12) . . ?
C8 C7 C6 120.51(13) . . ?
C7 C8 C9 120.55(13) . . ?
C8 C9 N1 119.77(12) . . ?
C10 C9 N1 121.46(12) . . ?
C10 C9 C8 118.78(12) . . ?
C11 C10 C9 120.47(13) . . ?
C10 C11 C6 120.77(13) . . ?
C13 C12 N1 120.75(12) . . ?
C13 C12 C17 120.21(13) . . ?
C17 C12 N1 118.99(12) . . ?
C14 C13 C12 119.59(13) . . ?
C13 C14 C15 120.50(13) . . ?
C14 C15 C16 119.62(13) . . ?
C14 C15 C18 118.14(13) . . ?
C16 C15 C18 122.21(13) . . ?
C17 C16 C15 120.16(13) . . ?
C16 C17 C12 119.92(13) . . ?
O3 C18 C15 112.49(13) . . ?
O4 C18 O3 123.19(15) . . ?
O4 C18 C15 124.31(15) . . ?
O3 C19 C20 108.69(15) . . ?
C19 C20 C21 116.93(19) . . ?
C22 C20 C19 120.6(2) . . ?
C22 C20 C21 122.4(2) . . ?
C24 C23 N1 120.61(12) . . ?
C24 C23 C28 119.30(13) . . ?
C28 C23 N1 120.08(12) . . ?
C25 C24 C23 120.45(13) . . ?
C24 C25 C26 120.30(13) . . ?
C25 C26 C29 122.67(13) . . ?
C27 C26 C25 119.00(13) . . ?
C27 C26 C29 118.33(13) . . ?
C28 C27 C26 120.94(13) . . ?
C27 C28 C23 120.00(13) . . ?
O5 C29 C26 112.23(13) . . ?
O6 C29 O5 123.72(14) . . ?
O6 C29 C26 124.05(15) . . ?
O5 C30 C31 111.92(16) . . ?
C32 C31 C30 117.26(18) . . ?
C33 C31 C30 119.9(3) . . ?
C33 C31 C32 122.8(3) . . ?

_olex2_date_sample_data_collection 2018-12-09
_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 1.655
_oxdiff_exptl_absorpt_empirical_full_min 0.560
