# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_lsn_170707
_database_code_depnum_ccdc_archive 'CCDC 1568169'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-09-28 downloaded from the CCDC.
;
_audit_creation_date             2017-07-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_chemical_formula_moiety         'C27 H33 Br O3'
_chemical_formula_sum            'C27 H33 Br O3'
_chemical_formula_weight         485.46
_chemical_absolute_configuration unk
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Br -0.67402 1.33011 17.17890 5.23580 5.63770 3.98510 2.17230 16.57960 0.26090
41.43280 2.95569992065
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           ' P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z

_symmetry_Int_Tables_number      4
_cell_length_a                   5.86059(7)
_cell_length_b                   12.67519(17)
_cell_length_c                   15.73654(19)
_cell_angle_alpha                90
_cell_angle_beta                 94.4504(11)
_cell_angle_gamma                90
_cell_volume                     1165.45(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16985
_cell_measurement_temperature    100
_cell_measurement_theta_max      72.2500
_cell_measurement_theta_min      3.4460
_exptl_absorpt_coefficient_mu    2.602
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.3833
_exptl_crystal_description       block
_exptl_crystal_F_000             507.9511
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21844
_diffrn_reflns_theta_full        72.1236
_diffrn_reflns_theta_max         72.12
_diffrn_reflns_theta_min         4.48
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.2417
_diffrn_detector_type            Onyx
_diffrn_measured_fraction_theta_full 0.9956
_diffrn_measured_fraction_theta_max 0.9956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -114.00 -19.00   1.00    2.00    --  -44.40 -57.00 -90.00   95
  2  ω   -118.00 -73.00   1.00    2.00    --  -44.40-125.00  60.00   45
  3  ω   -118.00 -73.00   1.00    2.00    --  -44.40-125.00 -30.00   45
  4  ω   -126.00 -79.00   1.00    2.00    --  -44.40 -99.00-180.00   47
  5  ω   -126.00 -79.00   1.00    2.00    --  -44.40 -99.00-150.00   47
  6  ω    -25.00  70.00   1.00    2.00    --   44.40 -57.00 -30.00   95
  7  ω    -25.00  70.00   1.00    2.00    --   44.40 -57.00-150.00   95
  8  ω     26.00 121.00   1.00    5.00    --  100.00-125.00-180.00   95
  9  ω     61.00 178.00   1.00    5.00    --  100.00  15.00  90.00  117
 10  ω     26.00 121.00   1.00    5.00    --  100.00-125.00   0.00   95
 11  ω     68.00 174.00   1.00    5.00    --  100.00  77.00-120.00  106
 12  ω     26.00 121.00   1.00    5.00    --  100.00-125.00  30.00   95
 13  ω     30.00 127.00   1.00    5.00    --  100.00 -61.00  30.00   97
 14  ω     26.00 121.00   1.00    5.00    --  100.00-125.00 120.00   95
 15  ω     76.00 171.00   1.00    5.00    --  100.00  45.00  90.00   95
 16  ω     26.00 132.00   1.00    5.00    --  100.00 -77.00 150.00  106
 17  ω     25.00 117.00   1.00    5.00    --  100.00-117.00-107.00   92
 18  ω     26.00 121.00   1.00    5.00    --  100.00-125.00 -30.00   95
 19  ω     17.00 109.00   1.00    5.00    --  100.00 -94.00  30.00   92
 20  ω     29.00 124.00   1.00    5.00    --  100.00 -45.00 150.00   95
 21  ω     17.00 109.00   1.00    5.00    --  100.00 -94.00   0.00   92
 22  ω     17.00 109.00   1.00    5.00    --  100.00 -94.00 150.00   92
 23  ω     73.00 174.00   1.00    5.00    --  100.00 125.00-120.00  101
 24  ω     76.00 171.00   1.00    5.00    --  100.00  45.00-180.00   95
 25  ω     29.00 124.00   1.00    5.00    --  100.00 -45.00-120.00   95
 26  ω     17.00 109.00   1.00    5.00    --  100.00 -94.00-150.00   92
 27  ω     74.00 156.00   1.00    5.00    --  100.00  30.00-120.00   82
 28  ω    103.00 169.00   1.00    5.00    --  100.00  45.00 -30.00   66
 29  ω     88.00 138.00   1.00    5.00    --  100.00 -15.00 -90.00   50
 30  ω     56.00  85.00   1.00    5.00    --  100.00 -94.00 -60.00   29
 31  ω     30.00  98.00   1.00    5.00    --  100.00 -45.00 -60.00   68
 32  ω     94.00 121.00   1.00    5.00    --  100.00-125.00-150.00   27
 33  ω    114.00 156.00   1.00    5.00    --  100.00 125.00  30.00   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1469905000
_diffrn_orient_matrix_UB_12      0.0537925000
_diffrn_orient_matrix_UB_13      -0.0729759000
_diffrn_orient_matrix_UB_21      -0.0383424000
_diffrn_orient_matrix_UB_22      -0.1076169000
_diffrn_orient_matrix_UB_23      -0.0444594000
_diffrn_orient_matrix_UB_31      -0.2154155000
_diffrn_orient_matrix_UB_32      -0.0175946000
_diffrn_orient_matrix_UB_33      0.0483482000
_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              'Nova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.994
_reflns_limit_h_max              7
_reflns_limit_h_min              -7
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              19
_reflns_limit_l_min              -19
_reflns_number_gt                4538
_reflns_number_total             4565
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.2453
_refine_diff_density_min         -0.4392
_refine_diff_density_rms         0.0499
_refine_ls_abs_structure_details 
'Flack, H. D. (1983). Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   0.003(10)
_refine_ls_d_res_high            0.8100
_refine_ls_d_res_low             9.8596
_refine_ls_goodness_of_fit_ref   1.0350
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    48
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4565
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0257
_refine_ls_restrained_S_all      1.0350
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+0.4722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0705
_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:
 C24(H24)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7a,H7b), C12(H12a,H12b), C22(H22a,H22b), C23(H23a,H23b), C25(H25a,H25b),
 C26(H26a,H26b), C29(H29a,H29b), C32(H32a,H32b)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C11(H11), C13(H13), C5(H5), C27(H27)
2.d Idealised Me refined as rotating group:
 C14(H14a,H14b,H14c), C17(H17a,H17b,H17c), C21(H21a,H21b,H21c)
;
_atom_sites_solution_primary     direct
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_refinement_flags_posn
Br1 Br -0.41999(4) -0.732505(16) -0.966363(13) 0.03578(8) Uani 1.000000 .
O1 O -0.7318(2) -0.25780(10) -0.81246(9) 0.0249(3) Uani 1.000000 .
O3 O -1.0572(3) -0.29133(13) -0.89316(11) 0.0346(4) Uani 1.000000 .
O4 O -0.3466(3) -0.17369(16) -0.66066(12) 0.0427(4) Uani 1.000000 .
C5 C -0.4321(3) -0.53644(18) -0.87953(14) 0.0274(4) Uani 1.000000 .
C6 C -0.5552(4) -0.60360(17) -0.93486(13) 0.0260(4) Uani 1.000000 .
C7 C -0.9164(4) 0.18680(18) -0.81257(14) 0.0302(5) Uani 1.000000 .
C8 C -0.8823(3) 0.16933(16) -0.65284(13) 0.0204(4) Uani 1.000000 .
C9 C -0.7724(3) 0.06130(16) -0.66462(13) 0.0205(4) Uani 1.000000 .
C10 C -0.7290(3) 0.02392(16) -0.74186(13) 0.0224(4) Uani 1.000000 .
C11 C -0.8721(4) -0.48573(17) -0.94526(14) 0.0250(4) Uani 1.000000 .
C12 C -0.8760(4) 0.33850(17) -0.56251(14) 0.0252(4) Uani 1.000000 .
C13 C -0.5299(3) -0.44185(17) -0.85707(14) 0.0258(4) Uani 1.000000 .
C14 C -0.5873(3) 0.43682(18) -0.64284(14) 0.0271(4) Uani 1.000000 .
C15 C -0.7758(4) -0.58030(18) -0.96895(13) 0.0273(4) Uani 1.000000 .
C16 C -0.8655(3) -0.31725(16) -0.86597(13) 0.0233(4) Uani 1.000000 .
C17 C -0.4337(4) -0.08213(18) -0.81715(14) 0.0296(5) Uani 1.000000 .
C18 C -0.8415(3) 0.41049(17) -0.64011(14) 0.0227(4) Uani 1.000000 .
C19 C -0.6260(3) -0.08573(16) -0.75617(13) 0.0228(4) Uani 1.000000 .
C20 C -0.7526(3) -0.41721(16) -0.88917(13) 0.0218(4) Uani 1.000000 .
C21 C -1.1405(3) 0.14964(18) -0.64447(15) 0.0292(4) Uani 1.000000 .
C22 C -0.8234(3) -0.15542(17) -0.79390(14) 0.0263(4) Uani 1.000000 .
C23 C -0.6889(4) -0.12007(18) -0.59972(14) 0.0290(4) Uani 1.000000 .
C24 C -0.8369(3) 0.24060(15) -0.72917(12) 0.0215(4) Uani 1.000000 .
C25 C -0.7744(4) 0.08789(18) -0.82286(14) 0.0315(5) Uani 1.000000 .
C26 C -0.9315(3) 0.35188(17) -0.72174(13) 0.0242(4) Uani 1.000000 .
C27 C -0.9824(4) 0.50935(18) -0.63301(15) 0.0302(5) Uani 1.000000 .
C29 C -0.7810(4) 0.22618(17) -0.57139(13) 0.0238(4) Uani 1.000000 .
C31 C -0.5341(4) -0.13304(17) -0.67088(14) 0.0276(4) Uani 1.000000 .
C32 C -0.7189(4) -0.00182(17) -0.58378(13) 0.0253(4) Uani 1.000000 .
C0aa C -0.9165(5) 0.6083(2) -0.63545(19) 0.0423(6) Uani 1.000000 .
H15 H -0.8575(4) -0.62747(18) -1.00710(13) 0.0327(5) Uiso 1.000000 R
H11 H -1.0221(4) -0.46762(17) -0.96778(14) 0.0300(5) Uiso 1.000000 R
H13 H -0.4460(3) -0.39407(17) -0.82009(14) 0.0310(5) Uiso 1.000000 R
H5 H -0.2822(3) -0.55481(18) -0.85711(14) 0.0329(5) Uiso 1.000000 R
H7a H -1.0803(4) 0.16788(18) -0.81246(14) 0.0362(5) Uiso 1.000000 R
H7b H -0.8983(4) 0.23540(18) -0.86084(14) 0.0362(5) Uiso 1.000000 R
H12a H -0.8001(4) 0.37145(17) -0.51073(14) 0.0302(5) Uiso 1.000000 R
H12b H -1.0416(4) 0.33392(17) -0.55460(14) 0.0302(5) Uiso 1.000000 R
H14a H -0.5331(8) 0.4737(13) -0.5904(5) 0.0407(6) Uiso 1.000000 GR
H14b H -0.5000(5) 0.3715(2) -0.6478(12) 0.0407(6) Uiso 1.000000 GR
H14c H -0.5661(5) 0.4821(12) -0.6921(7) 0.0407(6) Uiso 1.000000 GR
H17a H -0.4977(7) -0.0619(15) -0.8742(3) 0.0444(7) Uiso 1.000000 GR
H17b H -0.3183(17) -0.0303(11) -0.7965(7) 0.0444(7) Uiso 1.000000 GR
H17c H -0.363(2) -0.1519(4) -0.8197(10) 0.0444(7) Uiso 1.000000 GR
H21a H -1.2046(8) 0.1094(14) -0.6939(6) 0.0438(7) Uiso 1.000000 GR
H21b H -1.1601(4) 0.1097(13) -0.5922(7) 0.0438(7) Uiso 1.000000 GR
H21c H -1.2201(6) 0.21743(18) -0.6420(13) 0.0438(7) Uiso 1.000000 GR
H22a H -0.8948(3) -0.12305(17) -0.84671(14) 0.0315(5) Uiso 1.000000 R
H22b H -0.9417(3) -0.16242(17) -0.75265(14) 0.0315(5) Uiso 1.000000 R
H23a H -0.8393(4) -0.15305(18) -0.61557(14) 0.0348(5) Uiso 1.000000 R
H23b H -0.6207(4) -0.15480(18) -0.54740(14) 0.0348(5) Uiso 1.000000 R
H24 H -0.6670(3) 0.24785(15) -0.72894(12) 0.0258(5) Uiso 1.000000 R
H25a H -0.8545(4) 0.04251(18) -0.86685(14) 0.0378(6) Uiso 1.000000 R
H25b H -0.6259(4) 0.10856(18) -0.84382(14) 0.0378(6) Uiso 1.000000 R
H26a H -1.1004(3) 0.34801(17) -0.72330(13) 0.0291(5) Uiso 1.000000 R
H26b H -0.8918(3) 0.39336(17) -0.77182(13) 0.0291(5) Uiso 1.000000 R
H27 H -1.1402(4) 0.49854(18) -0.62579(15) 0.0363(5) Uiso 1.000000 R
H29a H -0.8154(4) 0.18425(17) -0.52088(13) 0.0285(5) Uiso 1.000000 R
H29b H -0.6125(4) 0.22989(17) -0.57254(13) 0.0285(5) Uiso 1.000000 R
H32a H -0.5767(4) 0.02602(17) -0.55382(13) 0.0303(5) Uiso 1.000000 R
H32b H -0.8443(4) 0.00814(17) -0.54588(13) 0.0303(5) Uiso 1.000000 R
H0aa H -0.758(7) 0.625(3) -0.633(3) 0.064(11) Uiso 1.000000 .
H0ab H -1.028(7) 0.663(3) -0.640(3) 0.070(12) Uiso 1.000000 .


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
Br1 C6 1.898(2) . ?
O1 C16 1.337(2) . ?
O1 C22 1.443(2) . ?
O3 C16 1.216(3) . ?
O4 C31 1.213(3) . ?
C5 C6 1.381(3) . ?
C5 C13 1.386(3) . ?
C6 C15 1.392(3) . ?
C7 C24 1.520(3) . ?
C7 C25 1.520(3) . ?
C8 C9 1.530(3) . ?
C8 C21 1.550(3) . ?
C8 C24 1.542(3) . ?
C8 C29 1.548(3) . ?
C9 C10 1.347(3) . ?
C9 C32 1.515(3) . ?
C10 C19 1.539(3) . ?
C10 C25 1.517(3) . ?
C11 C15 1.388(3) . ?
C11 C20 1.388(3) . ?
C12 C18 1.550(3) . ?
C12 C29 1.539(3) . ?
C13 C20 1.398(3) . ?
C14 C18 1.531(3) . ?
C16 C20 1.488(3) . ?
C17 C19 1.536(3) . ?
C18 C26 1.541(3) . ?
C18 C27 1.510(3) . ?
C19 C22 1.538(3) . ?
C19 C31 1.529(3) . ?
C23 C31 1.504(3) . ?
C23 C32 1.532(3) . ?
C24 C26 1.523(3) . ?
C27 C0aa 1.314(4) . ?

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
C22 O1 C16 115.18(15) . . ?
C13 C5 C6 119.21(19) . . ?
C5 C6 Br1 119.16(16) . . ?
C15 C6 Br1 118.41(17) . . ?
C15 C6 C5 122.4(2) . . ?
C25 C7 C24 109.18(17) . . ?
C21 C8 C9 106.80(16) . . ?
C24 C8 C9 109.28(16) . . ?
C24 C8 C21 112.88(17) . . ?
C29 C8 C9 112.27(16) . . ?
C29 C8 C21 108.60(16) . . ?
C29 C8 C24 107.10(16) . . ?
C10 C9 C8 122.32(18) . . ?
C32 C9 C8 115.63(17) . . ?
C32 C9 C10 122.05(18) . . ?
C19 C10 C9 123.60(18) . . ?
C25 C10 C9 122.49(19) . . ?
C25 C10 C19 113.90(17) . . ?
C20 C11 C15 121.02(19) . . ?
C29 C12 C18 113.75(16) . . ?
C20 C13 C5 119.60(19) . . ?
C11 C15 C6 117.7(2) . . ?
O3 C16 O1 123.33(19) . . ?
C20 C16 O1 112.61(17) . . ?
C20 C16 O3 124.05(19) . . ?
C14 C18 C12 109.69(17) . . ?
C26 C18 C12 108.41(17) . . ?
C26 C18 C14 110.64(16) . . ?
C27 C18 C12 108.96(17) . . ?
C27 C18 C14 111.12(18) . . ?
C27 C18 C26 107.95(17) . . ?
C17 C19 C10 112.32(17) . . ?
C22 C19 C10 106.46(15) . . ?
C22 C19 C17 110.00(17) . . ?
C31 C19 C10 109.95(16) . . ?
C31 C19 C17 109.54(17) . . ?
C31 C19 C22 108.47(17) . . ?
C13 C20 C11 120.04(19) . . ?
C16 C20 C11 118.48(18) . . ?
C16 C20 C13 121.47(18) . . ?
C19 C22 O1 108.33(15) . . ?
C32 C23 C31 108.20(18) . . ?
C8 C24 C7 110.49(17) . . ?
C26 C24 C7 113.14(16) . . ?
C26 C24 C8 113.39(16) . . ?
C10 C25 C7 114.41(19) . . ?
C24 C26 C18 114.05(16) . . ?
C0aa C27 C18 128.8(2) . . ?
C12 C29 C8 112.81(17) . . ?
C19 C31 O4 122.5(2) . . ?
C23 C31 O4 122.7(2) . . ?
C23 C31 C19 114.78(17) . . ?
C23 C32 C9 113.47(18) . . ?

_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 2.372
_oxdiff_exptl_absorpt_empirical_full_min 0.535
