# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_scs-inst-jan31
_database_code_depnum_ccdc_archive 'CCDC 2299361'
loop_
_audit_author_name
_audit_author_address
'DR. SUBASH CHANDRA SAHOO'
;Department of Chemistry, Panjab University (PU)
India
;
_audit_update_record             
;
2023-10-05 deposited with the CCDC.	2024-05-16 downloaded from the CCDC.
;
_audit_creation_date             2023-02-01
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2017.01.05 svn.r3372 for Rigaku Oxford Diffraction, GUI svn.r5289)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C15 H14 O3)'
_chemical_formula_sum            'C30 H28 O6'
_chemical_formula_weight         484.52
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O B F'
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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5504(4)
_cell_length_b                   9.6216(4)
_cell_length_c                   14.9202(5)
_cell_angle_alpha                76.429(3)
_cell_angle_beta                 78.195(3)
_cell_angle_gamma                70.242(4)
_cell_volume                     1242.47(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6219
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.1970
_cell_measurement_theta_min      3.3150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88460
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.31d (Rigaku Oxford Diffraction, 2017)
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    1.295
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.021
_exptl_crystal_size_mid          0.018
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14173
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.308
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00  -2.00   0.50    8.00    --   -9.79 -57.00 -90.00  134
  2  ω    -64.00  -1.00   0.50    8.00    --   -9.79 -19.00  60.00  126
  3  ω    -48.00 -22.00   0.50    8.00    --   -9.79 125.00  30.00   52
  4  ω    -80.00  -1.00   0.50    8.00    --   -9.79 -19.00   0.00  158
  5  ω    -43.00   4.00   0.50    8.00    --   -9.79 -38.00-180.00   94
  6  ω    -58.00 -33.00   0.50    8.00    --   -9.79 125.00-150.00   50
  7  ω     14.00  54.00   0.50    8.00    --   -9.79  57.00   0.00   80
  8  ω      7.00  49.00   0.50    8.00    --   -9.79  19.00   0.00   84
  9  ω    -19.00  43.00   0.50    8.00    --   10.07 -99.00-150.00  124
 10  ω     42.00  72.00   0.50    8.00    --   10.07  38.00-120.00   60
 11  ω    -28.00   1.00   0.50    8.00    --   10.07 120.00 -94.67   58
 12  ω     21.00  55.00   0.50    8.00    --   10.07-125.00-180.00   68
 13  ω    -33.00  -4.00   0.50    8.00    --   10.07 127.00  81.44   58
 14  ω     13.00  58.00   0.50    8.00    --   10.07-125.00  60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0704564000
_diffrn_orient_matrix_UB_12      0.0446411000
_diffrn_orient_matrix_UB_13      0.0192416000
_diffrn_orient_matrix_UB_21      0.0347770000
_diffrn_orient_matrix_UB_22      0.0507573000
_diffrn_orient_matrix_UB_23      0.0064780000
_diffrn_orient_matrix_UB_31      -0.0131526000
_diffrn_orient_matrix_UB_32      0.0420867000
_diffrn_orient_matrix_UB_33      -0.0450020000
_diffrn_oxdiff_ac3_digest_frames 
;
01aafc86d3c829eee4bd00aa1588798eca01236171b
;
_diffrn_oxdiff_ac3_digest_hkl    
;
0147df4e59e7bc99e335943cd38c9ec82f843b
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\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                3200
_reflns_number_total             5034
_reflns_odcompleteness_completeness 99.31
_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 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.31d (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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         5034
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0487
_refine_ls_restrained_S_all      1.037
_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)+(0.0613P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1127
_refine_ls_wR_factor_ref         0.1303
_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
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C6(H6), C21(H21), C29(H29), C19(H19), C7(H7), C22(H22), C25(H25),
 C3(H3), C4(H4), C28(H28), C13(H13), C18(H18), C26(H26), C10(H10), C11(H11)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C16(H16A,H16B,H16C), C30(H30A,H30B,H30C), C15(H15A,H15B,H15C)
;
_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 0.21234(11) 0.14702(12) 0.65323(7) 0.0583(3) Uani 1 1 d . . . . .
O6 O 0.16079(12) 0.36489(12) 0.96996(7) 0.0618(3) Uani 1 1 d . . . . .
O4 O 0.78442(13) 0.35308(12) 0.35207(7) 0.0636(3) Uani 1 1 d . . . . .
O3 O 0.81761(13) 0.12502(12) 0.03357(7) 0.0675(3) Uani 1 1 d . . . . .
O5 O 0.77908(13) 0.00388(12) 0.76637(7) 0.0723(4) Uani 1 1 d . . . . .
O2 O 0.21480(14) 0.50477(13) 0.23980(7) 0.0809(4) Uani 1 1 d . . . . .
C24 C 0.54701(17) 0.18764(16) 0.79537(10) 0.0448(4) Uani 1 1 d . . . . .
C14 C 0.51060(17) 0.16536(16) 0.22037(9) 0.0481(4) Uani 1 1 d . . . . .
H14 H 0.470672 0.102192 0.268144 0.058 Uiso 1 1 calc R . . . .
C5 C 0.28170(17) 0.32169(16) 0.37195(10) 0.0454(4) Uani 1 1 d . . . . .
C2 C 0.22687(17) 0.20933(16) 0.56142(10) 0.0448(4) Uani 1 1 d . . . . .
C20 C 0.70597(16) 0.17974(16) 0.63334(10) 0.0443(4) Uani 1 1 d . . . . .
C6 C 0.40030(16) 0.23769(16) 0.42292(10) 0.0474(4) Uani 1 1 d . . . . .
H6 H 0.498731 0.218524 0.393201 0.057 Uiso 1 1 calc R . . . .
C21 C 0.66428(16) 0.33410(16) 0.59819(10) 0.0474(4) Uani 1 1 d . . . . .
H21 H 0.615772 0.401427 0.638654 0.057 Uiso 1 1 calc R . . . .
C27 C 0.29031(17) 0.30088(16) 0.91690(10) 0.0460(4) Uani 1 1 d . . . . .
C29 C 0.41298(17) 0.27733(16) 0.76205(10) 0.0476(4) Uani 1 1 d . . . . .
H29 H 0.409116 0.300351 0.698310 0.057 Uiso 1 1 calc R . . . .
C19 C 0.77824(16) 0.08342(16) 0.57086(10) 0.0496(4) Uani 1 1 d . . . . .
H19 H 0.809352 -0.019457 0.592976 0.060 Uiso 1 1 calc R . . . .
C7 C 0.37287(16) 0.18330(16) 0.51631(10) 0.0477(4) Uani 1 1 d . . . . .
H7 H 0.452778 0.128650 0.549477 0.057 Uiso 1 1 calc R . . . .
C22 C 0.69393(16) 0.38747(16) 0.50498(10) 0.0496(4) Uani 1 1 d . . . . .
H22 H 0.667260 0.490429 0.482977 0.060 Uiso 1 1 calc R . . . .
C9 C 0.44602(17) 0.32071(16) 0.21201(9) 0.0470(4) Uani 1 1 d . . . . .
C17 C 0.76359(16) 0.28855(17) 0.44324(10) 0.0460(4) Uani 1 1 d . . . . .
C25 C 0.54758(17) 0.15501(16) 0.89125(10) 0.0504(4) Uani 1 1 d . . . . .
H25 H 0.635338 0.093833 0.915028 0.061 Uiso 1 1 calc R . . . .
C3 C 0.10751(17) 0.29266(15) 0.51246(10) 0.0502(4) Uani 1 1 d . . . . .
H3 H 0.009171 0.310856 0.542257 0.060 Uiso 1 1 calc R . . . .
C23 C 0.68378(17) 0.11700(16) 0.73443(10) 0.0495(4) Uani 1 1 d . . . . .
C4 C 0.13691(17) 0.34826(16) 0.41870(10) 0.0505(4) Uani 1 1 d . . . . .
H4 H 0.056921 0.405244 0.386071 0.061 Uiso 1 1 calc R . . . .
C12 C 0.69611(17) 0.19702(17) 0.08937(10) 0.0488(4) Uani 1 1 d . . . . .
C28 C 0.28671(17) 0.33212(16) 0.82194(10) 0.0494(4) Uani 1 1 d . . . . .
H28 H 0.197935 0.390763 0.798494 0.059 Uiso 1 1 calc R . . . .
C13 C 0.63184(17) 0.10480(16) 0.15923(9) 0.0494(4) Uani 1 1 d . . . . .
H13 H 0.671384 0.001089 0.164572 0.059 Uiso 1 1 calc R . . . .
C18 C 0.80540(16) 0.13564(16) 0.47681(10) 0.0506(4) Uani 1 1 d . . . . .
H18 H 0.851653 0.068404 0.436055 0.061 Uiso 1 1 calc R . . . .
C26 C 0.42181(18) 0.21079(16) 0.95193(10) 0.0506(4) Uani 1 1 d . . . . .
H26 H 0.425083 0.188237 1.015732 0.061 Uiso 1 1 calc R . . . .
C8 C 0.30755(18) 0.39000(17) 0.27233(10) 0.0529(4) Uani 1 1 d . . . . .
C10 C 0.51009(19) 0.41099(17) 0.14074(10) 0.0551(4) Uani 1 1 d . . . . .
H10 H 0.468025 0.514696 0.133559 0.066 Uiso 1 1 calc R . . . .
C11 C 0.63445(19) 0.35135(18) 0.08020(10) 0.0566(4) Uani 1 1 d . . . . .
H11 H 0.676605 0.414257 0.033579 0.068 Uiso 1 1 calc R . . . .
C1 C 0.06537(19) 0.1744(2) 0.70463(11) 0.0741(5) Uani 1 1 d . . . . .
H1A H 0.005093 0.137908 0.677230 0.111 Uiso 1 1 calc GR . . . .
H1B H 0.020296 0.280263 0.703374 0.111 Uiso 1 1 calc GR . . . .
H1C H 0.071732 0.123341 0.767896 0.111 Uiso 1 1 calc GR . . . .
C16 C 0.8528(2) 0.2564(2) 0.28556(10) 0.0767(6) Uani 1 1 d . . . . .
H16A H 0.850935 0.315018 0.223893 0.115 Uiso 1 1 calc GR . . . .
H16B H 0.798515 0.185878 0.292570 0.115 Uiso 1 1 calc GR . . . .
H16C H 0.954941 0.203062 0.295448 0.115 Uiso 1 1 calc GR . . . .
C30 C 0.1551(2) 0.3308(2) 1.06878(10) 0.0825(6) Uani 1 1 d . . . . .
H30A H 0.232121 0.358586 1.086023 0.124 Uiso 1 1 calc GR . . . .
H30B H 0.170781 0.225068 1.089838 0.124 Uiso 1 1 calc GR . . . .
H30C H 0.058621 0.385658 1.096959 0.124 Uiso 1 1 calc GR . . . .
C15 C 0.8869(2) 0.2130(2) -0.04140(12) 0.0908(7) Uani 1 1 d . . . . .
H15A H 0.816283 0.270036 -0.083991 0.136 Uiso 1 1 calc GR . . . .
H15B H 0.972589 0.147951 -0.073305 0.136 Uiso 1 1 calc GR . . . .
H15C H 0.918525 0.280073 -0.017347 0.136 Uiso 1 1 calc GR . . . .


_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 C2 1.3594(16) . ?
O1 C1 1.4255(17) . ?
O6 C27 1.3599(17) . ?
O6 C30 1.4272(16) . ?
O4 C17 1.3608(16) . ?
O4 C16 1.4265(18) . ?
O3 C12 1.3606(17) . ?
O3 C15 1.4273(18) . ?
O5 C23 1.2266(16) . ?
O2 C8 1.2258(16) . ?
C24 C29 1.3938(19) . ?
C24 C25 1.3915(18) . ?
C24 C23 1.483(2) . ?
C14 H14 0.9300 . ?
C14 C9 1.3968(19) . ?
C14 C13 1.3688(18) . ?
C5 C6 1.3998(19) . ?
C5 C4 1.3835(19) . ?
C5 C8 1.4843(19) . ?
C2 C7 1.3853(19) . ?
C2 C3 1.3870(19) . ?
C20 C21 1.3997(19) . ?
C20 C19 1.3835(19) . ?
C20 C23 1.4875(19) . ?
C6 H6 0.9300 . ?
C6 C7 1.3731(18) . ?
C21 H21 0.9300 . ?
C21 C22 1.3712(17) . ?
C27 C28 1.3827(17) . ?
C27 C26 1.386(2) . ?
C29 H29 0.9300 . ?
C29 C28 1.3715(19) . ?
C19 H19 0.9300 . ?
C19 C18 1.3774(18) . ?
C7 H7 0.9300 . ?
C22 H22 0.9300 . ?
C22 C17 1.3892(19) . ?
C9 C8 1.484(2) . ?
C9 C10 1.3854(19) . ?
C17 C18 1.3833(19) . ?
C25 H25 0.9300 . ?
C25 C26 1.378(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.3826(18) . ?
C4 H4 0.9300 . ?
C12 C13 1.3867(18) . ?
C12 C11 1.385(2) . ?
C28 H28 0.9300 . ?
C13 H13 0.9300 . ?
C18 H18 0.9300 . ?
C26 H26 0.9300 . ?
C10 H10 0.9300 . ?
C10 C11 1.378(2) . ?
C11 H11 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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 C1 118.38(11) . . ?
C27 O6 C30 118.58(12) . . ?
C17 O4 C16 117.85(12) . . ?
C12 O3 C15 118.56(13) . . ?
C29 C24 C23 123.18(13) . . ?
C25 C24 C29 117.67(14) . . ?
C25 C24 C23 118.99(13) . . ?
C9 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C9 120.91(14) . . ?
C6 C5 C8 122.11(14) . . ?
C4 C5 C6 117.93(13) . . ?
C4 C5 C8 119.84(13) . . ?
O1 C2 C7 115.55(13) . . ?
O1 C2 C3 124.50(13) . . ?
C7 C2 C3 119.95(13) . . ?
C21 C20 C23 122.82(13) . . ?
C19 C20 C21 117.70(13) . . ?
C19 C20 C23 119.39(13) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.71(14) . . ?
C7 C6 H6 119.6 . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 120.96(13) . . ?
C22 C21 H21 119.5 . . ?
O6 C27 C28 115.95(13) . . ?
O6 C27 C26 124.36(13) . . ?
C28 C27 C26 119.68(14) . . ?
C24 C29 H29 119.5 . . ?
C28 C29 C24 120.93(13) . . ?
C28 C29 H29 119.5 . . ?
C20 C19 H19 119.1 . . ?
C18 C19 C20 121.83(13) . . ?
C18 C19 H19 119.1 . . ?
C2 C7 H7 119.8 . . ?
C6 C7 C2 120.39(14) . . ?
C6 C7 H7 119.8 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C17 120.34(13) . . ?
C17 C22 H22 119.8 . . ?
C14 C9 C8 122.35(13) . . ?
C10 C9 C14 117.78(14) . . ?
C10 C9 C8 119.75(14) . . ?
O4 C17 C22 115.60(13) . . ?
O4 C17 C18 124.96(14) . . ?
C18 C17 C22 119.43(13) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 C24 121.85(14) . . ?
C26 C25 H25 119.1 . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.02(14) . . ?
C4 C3 H3 120.5 . . ?
O5 C23 C24 120.38(14) . . ?
O5 C23 C20 118.93(14) . . ?
C24 C23 C20 120.67(13) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 C5 122.00(14) . . ?
C3 C4 H4 119.0 . . ?
O3 C12 C13 115.55(13) . . ?
O3 C12 C11 124.90(14) . . ?
C11 C12 C13 119.55(14) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.54(14) . . ?
C29 C28 H28 119.7 . . ?
C14 C13 C12 120.46(14) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C19 C18 C17 119.71(14) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C27 C26 H26 120.3 . . ?
C25 C26 C27 119.31(13) . . ?
C25 C26 H26 120.3 . . ?
O2 C8 C5 119.96(15) . . ?
O2 C8 C9 119.77(14) . . ?
C9 C8 C5 120.27(13) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.81(14) . . ?
C11 C10 H10 119.1 . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.46(14) . . ?
C10 C11 H11 120.3 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O4 C16 H16A 109.5 . . ?
O4 C16 H16B 109.5 . . ?
O4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O6 C30 H30A 109.5 . . ?
O6 C30 H30B 109.5 . . ?
O6 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

_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 1.287
_oxdiff_exptl_absorpt_empirical_full_min 0.734
