# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 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_tm-4(polimorfja-49)thf_auto
_database_code_depnum_ccdc_archive 'CCDC 2270174'
loop_
_audit_author_name
_audit_author_address
'Zoran Stefanic'
;Rudjer Boskovic Institute
Croatia
;
_audit_update_record             
;
2023-06-15 deposited with the CCDC.	2024-01-03 downloaded from the CCDC.
;
_audit_creation_date             2023-06-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H34 O'
_chemical_formula_sum            'C24 H34 O'
_chemical_formula_weight         338.51
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     
'Ponovljeno snimanje, nije bio dobar completnes'
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      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                   7.7886(5)
_cell_length_b                   10.8558(5)
_cell_length_c                   11.3845(4)
_cell_angle_alpha                76.757(4)
_cell_angle_beta                 84.981(4)
_cell_angle_gamma                78.050(5)
_cell_volume                     915.86(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6542
_cell_measurement_temperature    296.69(13)
_cell_measurement_theta_max      78.7960
_cell_measurement_theta_min      5.0110
_shelx_estimated_absorpt_T_max   0.899
_shelx_estimated_absorpt_T_min   0.812
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.54a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             372
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11118
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.364
_diffrn_reflns_theta_min         4.264
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.69(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00 -38.00   0.50    1.20    --  -48.47 -30.00  21.00   54
  2  ω   -122.00 -71.00   0.50    1.20    --  -48.47 -30.00  21.00  102
  3  ω    -25.00  25.00   0.50    1.20    --  -48.47  30.00-177.00  100
  4  ω    -24.00  28.00   0.50    1.20    --   48.47 -30.00  21.00  104
  5  ω   -117.00 -91.00   0.50    4.81    --  -90.00 -30.00  21.00   52
  6  ω   -163.00-124.00   0.50    4.81    --  -90.00 -30.00  21.00   78
  7  ω    -42.00 -16.00   0.50    1.20    --  -48.47 125.00 150.00   52
  8  ω    -25.00  20.00   0.50    1.20    --  -48.47  19.00 -30.00   90
  9  ω    -25.00  19.00   0.50    1.20    --  -48.47  19.00 -90.00   88
 10  ω    -82.00 -49.00   0.50    1.20    --  -48.47 125.00 150.00   66
 11  ω   -115.00 -90.00   0.50    1.20    --  -48.47-125.00-180.00   50
 12  ω     52.00  96.00   0.50    1.20    --   48.47  30.00-177.00   88
 13  ω    -52.00 -21.00   0.50    4.81    --  -90.00 125.00-180.00   62
 14  ω    -62.00 -19.00   0.50    4.81    --  -90.00 125.00-120.00   86
 15  ω    -52.00 -18.00   0.50    4.81    --  -90.00 125.00  30.00   68
 16  ω   -161.00-122.00   0.50    4.81    --  -90.00 -45.00   0.00   78
 17  ω    -85.00 -34.00   0.50    4.81    --  -90.00 125.00  60.00  102
 18  ω    -82.00 -55.00   0.50    4.81    --  -90.00 125.00-180.00   54
 19  ω    -52.00 -26.00   0.50    4.81    --  -90.00  77.00   0.00   52
 20  ω   -161.00 -79.00   0.50    4.81    --  -90.00 -45.00 -30.00  164
 21  ω    -86.00 -60.00   0.50    4.81    --  -90.00  77.00   0.00   52
 22  ω   -105.00 -80.00   0.50    4.81    --  -90.00 -45.00   0.00   50
 23  ω     47.00  73.00   0.50    4.81    --  111.50-125.00-120.00   52
 24  ω     72.00  98.00   0.50    4.81    --  111.50-125.00   0.00   52
 25  ω     72.00  97.00   0.50    4.81    --  111.50 -95.00 -90.00   50
 26  ω     40.00  70.00   0.50    4.81    --  111.50-125.00   0.00   60
 27  ω     40.00  66.00   0.50    4.81    --  111.50 -95.00 -90.00   52
 28  ω    100.00 134.00   0.50    4.81    --  111.50 125.00   0.00   68
 29  ω     42.00 101.00   0.50    4.81    --  111.50-125.00  90.00  118
 30  ω     43.00  68.00   0.50    4.81    --  111.50 -61.00-180.00   50
 31  ω     93.00 128.00   0.50    4.81    --  111.50  77.00  60.00   70
 32  ω    148.00 177.00   0.50    4.81    --  111.50  77.00  60.00   58
 33  ω     50.00 111.00   0.50    4.81    --  111.50-125.00 150.00  122
 34  ω    134.00 169.00   0.50    4.81    --  111.50  61.00 -90.00   70
 35  ω     45.00  70.00   0.50    4.81    --  111.50 -61.00 150.00   50
 36  ω     97.00 125.00   0.50    4.81    --  111.50  61.00 -90.00   56
 37  ω     78.00 104.00   0.50    4.81    --  111.50 -77.00 120.00   52
 38  ω     82.00 110.00   0.50    4.81    --  111.50-125.00-120.00   56
 39  ω     48.00 111.00   0.50    4.81    --  111.50-125.00  60.00  126
 40  ω     40.00 109.00   0.50    4.81    --  111.50-125.00-180.00  138
 41  ω     69.00  95.00   0.50    4.81    --  111.50 -77.00  60.00   52
 42  ω     44.00 105.00   0.50    4.81    --  111.50 -95.00-120.00  122
 43  ω     51.00 111.00   0.50    4.81    --  111.50-125.00  30.00  120
 44  ω    102.00 178.00   0.50    4.81    --  111.50  30.00-177.00  152
 45  ω   -124.00 -98.00   0.50    4.81    --  -90.00 -32.00  22.00   52
 46  ω    -23.00   9.00   0.50    1.20    --   48.47 -19.00 -90.00   64
 47  ω      2.00  28.00   0.50    1.20    --   48.47 -99.00-180.00   52
 48  ω     40.00  81.00   0.50    1.20    --   48.47 -99.00-180.00   82
 49  ω    -51.00 -26.00   0.50    4.81    --  -90.00  45.00 150.00   50
 50  ω     86.00 111.00   0.50    4.81    --  111.50-125.00-150.00   50
 51  ω    147.00 174.00   0.50    4.81    --  111.50 125.00  30.00   54
 52  ω     46.00  72.00   0.50    4.81    --  111.50-125.00-150.00   52
 53  ω    109.00 147.00   0.50    4.81    --  111.50  30.00 -30.00   76
 54  ω     80.00 105.00   0.50    4.81    --  111.50 -95.00  60.00   50
 55  ω     68.00  94.00   0.50    4.81    --  111.50 -95.00  90.00   52
 56  ω    150.00 177.00   0.50    4.81    --  111.50  45.00-150.00   54
 57  ω    102.00 128.00   0.50    4.81    --  111.50-150.00  24.46   52
 58  ω     97.00 127.00   0.50    4.81    --  111.50 125.00  30.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0183607000
_diffrn_orient_matrix_UB_12      -0.1404950000
_diffrn_orient_matrix_UB_13      -0.0125811000
_diffrn_orient_matrix_UB_21      -0.1870796000
_diffrn_orient_matrix_UB_22      -0.0021304000
_diffrn_orient_matrix_UB_23      0.0558764000
_diffrn_orient_matrix_UB_31      -0.0749180000
_diffrn_orient_matrix_UB_32      0.0482905000
_diffrn_orient_matrix_UB_33      -0.1268061000
_diffrn_oxdiff_digest_frames     
;
01a7f32baa12f82a35d555a2d8aeddb57a0343872fb
;
_diffrn_oxdiff_digest_hkl        
;
010275d4f165e34ac84a814e84c540f9354032
;
_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              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3029
_reflns_number_total             3740
_reflns_odcompleteness_completeness 98.27
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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 1.171.42.54a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.54a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.54a (Rigaku OD, 2022)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.428
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3740
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0914
_refine_ls_restrained_S_all      1.428
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2734
_refine_ls_wR_factor_ref         0.3245
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6(H6), C10(H10), C1(H1), C11(H11), C12(H12), C18(H18), C8(H8), C23(H23),
 C16(H16), C3(H3)
2.b Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C2(H2A,H2B), C4(H4A,H4B), C9(H9A,H9B), C13(H13A,H13B), C7(H7A,
 H7B), C17(H17A,H17B), C21(H21A,H21B), C14(H14A,H14B), C22(H22A,H22B), C24(H24A,
 H24B), C25(H25A,H25B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
O15 O 0.66076(15) 0.49121(11) 0.80816(11) 0.0342(4) Uani 1 1 d . . . . .
C20 C 0.8141(2) 0.39944(15) 0.78277(14) 0.0307(5) Uani 1 1 d . . . . .
C6 C 0.6019(2) 0.68641(17) 0.64069(14) 0.0333(5) Uani 1 1 d . . . . .
H6 H 0.709007 0.660522 0.593198 0.040 Uiso 1 1 calc R . . . .
C10 C 0.4610(2) 0.67105(18) 0.84693(15) 0.0349(5) Uani 1 1 d . . . . .
H10 H 0.476788 0.634708 0.933276 0.042 Uiso 1 1 calc R . . . .
C1 C 0.4170(2) 0.81972(19) 0.82560(17) 0.0398(5) Uani 1 1 d . . . . .
H1 H 0.308977 0.845376 0.872237 0.048 Uiso 1 1 calc R . . . .
C5 C 0.6342(2) 0.63016(15) 0.77583(14) 0.0284(4) Uani 1 1 d . . . . .
C11 C 0.5583(2) 0.83520(18) 0.61963(17) 0.0401(5) Uani 1 1 d . . . . .
H11 H 0.541341 0.871389 0.533375 0.048 Uiso 1 1 calc R . . . .
C12 C 0.3867(2) 0.87581(19) 0.69081(18) 0.0398(5) Uani 1 1 d . . . . .
H12 H 0.357280 0.970121 0.676648 0.048 Uiso 1 1 calc R . . . .
C19 C 0.8815(3) 0.4189(2) 0.65188(16) 0.0451(5) Uani 1 1 d . . . . .
H19A H 0.928505 0.497505 0.629517 0.054 Uiso 1 1 calc R . . . .
H19B H 0.785718 0.427146 0.599851 0.054 Uiso 1 1 calc R . . . .
C18 C 1.0261(3) 0.3030(2) 0.63518(19) 0.0579(7) Uani 1 1 d . . . . .
H18 H 1.067789 0.315944 0.550317 0.069 Uiso 1 1 calc R . . . .
C2 C 0.5646(3) 0.8710(2) 0.8659(2) 0.0538(6) Uani 1 1 d . . . . .
H2A H 0.581186 0.836420 0.951420 0.065 Uiso 1 1 calc R . . . .
H2B H 0.534391 0.964237 0.852573 0.065 Uiso 1 1 calc R . . . .
C4 C 0.7809(2) 0.68372(19) 0.8155(2) 0.0407(5) Uani 1 1 d . . . . .
H4A H 0.889098 0.658537 0.770438 0.049 Uiso 1 1 calc R . . . .
H4B H 0.799840 0.647680 0.900569 0.049 Uiso 1 1 calc R . . . .
C9 C 0.3105(3) 0.6222(2) 0.8064(2) 0.0465(5) Uani 1 1 d . . . . .
H9A H 0.203773 0.647070 0.852924 0.056 Uiso 1 1 calc R . . . .
H9B H 0.337845 0.528758 0.820680 0.056 Uiso 1 1 calc R . . . .
C13 C 0.2364(3) 0.8261(2) 0.6509(2) 0.0488(6) Uani 1 1 d . . . . .
H13A H 0.217148 0.862952 0.565963 0.059 Uiso 1 1 calc R . . . .
H13B H 0.129145 0.851951 0.696608 0.059 Uiso 1 1 calc R . . . .
C7 C 0.4506(3) 0.6376(2) 0.60024(17) 0.0435(5) Uani 1 1 d . . . . .
H7A H 0.434309 0.672725 0.514716 0.052 Uiso 1 1 calc R . . . .
H7B H 0.478539 0.544351 0.613118 0.052 Uiso 1 1 calc R . . . .
C17 C 0.9545(4) 0.1797(2) 0.6693(3) 0.0657(8) Uani 1 1 d . . . . .
H17A H 1.045529 0.107457 0.656755 0.079 Uiso 1 1 calc R . . . .
H17B H 0.857874 0.185498 0.618705 0.079 Uiso 1 1 calc R . . . .
C8 C 0.2822(3) 0.6788(2) 0.6719(2) 0.0471(6) Uani 1 1 d . . . . .
H8 H 0.185929 0.646739 0.646343 0.057 Uiso 1 1 calc R . . . .
C21 C 0.7469(3) 0.2735(2) 0.8181(3) 0.0560(6) Uani 1 1 d . . . . .
H21A H 0.648999 0.278533 0.768962 0.067 Uiso 1 1 calc R . . . .
H21B H 0.704596 0.260701 0.901931 0.067 Uiso 1 1 calc R . . . .
C14 C 0.7073(3) 0.8866(2) 0.6589(2) 0.0531(6) Uani 1 1 d . . . . .
H14A H 0.678684 0.979993 0.643581 0.064 Uiso 1 1 calc R . . . .
H14B H 0.814668 0.861597 0.612977 0.064 Uiso 1 1 calc R . . . .
C22 C 1.0429(4) 0.1490(3) 0.8788(2) 0.0715(9) Uani 1 1 d . . . . .
H22A H 1.134610 0.076614 0.867694 0.086 Uiso 1 1 calc R . . . .
H22B H 1.003930 0.134540 0.963243 0.086 Uiso 1 1 calc R . . . .
C23 C 1.1145(4) 0.2724(3) 0.8441(3) 0.0648(8) Uani 1 1 d . . . . .
H23 H 1.212580 0.266016 0.894914 0.078 Uiso 1 1 calc R . . . .
C16 C 0.8910(4) 0.1584(2) 0.8015(3) 0.0651(7) Uani 1 1 d . . . . .
H16 H 0.843999 0.078730 0.824296 0.078 Uiso 1 1 calc R . . . .
C24 C 0.9684(3) 0.3878(2) 0.8618(2) 0.0550(7) Uani 1 1 d . . . . .
H24A H 0.928064 0.375634 0.945996 0.066 Uiso 1 1 calc R . . . .
H24B H 1.014905 0.466624 0.840458 0.066 Uiso 1 1 calc R . . . .
C3 C 0.7336(3) 0.8311(2) 0.7939(2) 0.0504(6) Uani 1 1 d . . . . .
H3 H 0.829107 0.863774 0.819737 0.061 Uiso 1 1 calc R . . . .
C25 C 1.1779(3) 0.2932(3) 0.7131(3) 0.0681(8) Uani 1 1 d . . . . .
H25A H 1.270676 0.221762 0.701075 0.082 Uiso 1 1 calc R . . . .
H25B H 1.224995 0.371795 0.690537 0.082 Uiso 1 1 calc R . . . .


_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
O15 C20 1.4424(17) . ?
O15 C5 1.4434(19) . ?
C20 C19 1.519(2) . ?
C20 C21 1.521(3) . ?
C20 C24 1.531(2) . ?
C6 C5 1.542(2) . ?
C6 C11 1.546(2) . ?
C6 C7 1.532(3) . ?
C10 C1 1.545(3) . ?
C10 C5 1.548(2) . ?
C10 C9 1.528(3) . ?
C1 C12 1.535(3) . ?
C1 C2 1.521(3) . ?
C5 C4 1.527(2) . ?
C11 C12 1.539(3) . ?
C11 C14 1.526(3) . ?
C12 C13 1.528(3) . ?
C19 C18 1.540(3) . ?
C18 C17 1.513(4) . ?
C18 C25 1.511(4) . ?
C2 C3 1.526(3) . ?
C4 C3 1.532(3) . ?
C9 C8 1.531(3) . ?
C13 C8 1.531(3) . ?
C7 C8 1.524(3) . ?
C17 C16 1.523(4) . ?
C21 C16 1.532(3) . ?
C14 C3 1.533(4) . ?
C22 C23 1.513(5) . ?
C22 C16 1.509(5) . ?
C23 C24 1.546(3) . ?
C23 C25 1.511(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
C20 O15 C5 127.83(12) . . ?
O15 C20 C19 115.67(13) . . ?
O15 C20 C21 101.69(14) . . ?
O15 C20 C24 113.72(13) . . ?
C19 C20 C21 109.27(16) . . ?
C19 C20 C24 108.20(17) . . ?
C21 C20 C24 107.82(18) . . ?
C5 C6 C11 108.64(13) . . ?
C7 C6 C5 111.12(15) . . ?
C7 C6 C11 109.83(14) . . ?
C1 C10 C5 109.00(15) . . ?
C9 C10 C1 109.79(15) . . ?
C9 C10 C5 110.76(14) . . ?
C12 C1 C10 108.79(14) . . ?
C2 C1 C10 110.88(14) . . ?
C2 C1 C12 110.41(18) . . ?
O15 C5 C6 113.51(13) . . ?
O15 C5 C10 102.44(13) . . ?
O15 C5 C4 113.20(13) . . ?
C6 C5 C10 107.26(12) . . ?
C4 C5 C6 110.32(15) . . ?
C4 C5 C10 109.61(13) . . ?
C12 C11 C6 108.97(15) . . ?
C14 C11 C6 110.97(14) . . ?
C14 C11 C12 110.25(16) . . ?
C1 C12 C11 107.95(14) . . ?
C13 C12 C1 110.39(17) . . ?
C13 C12 C11 110.54(16) . . ?
C20 C19 C18 109.66(14) . . ?
C17 C18 C19 110.3(2) . . ?
C25 C18 C19 109.6(2) . . ?
C25 C18 C17 109.77(19) . . ?
C1 C2 C3 109.28(15) . . ?
C5 C4 C3 110.69(14) . . ?
C10 C9 C8 110.04(16) . . ?
C12 C13 C8 109.54(14) . . ?
C8 C7 C6 109.82(14) . . ?
C18 C17 C16 109.28(18) . . ?
C9 C8 C13 109.09(17) . . ?
C7 C8 C9 108.87(15) . . ?
C7 C8 C13 109.97(19) . . ?
C20 C21 C16 111.53(18) . . ?
C11 C14 C3 109.15(17) . . ?
C16 C22 C23 109.81(18) . . ?
C22 C23 C24 109.7(2) . . ?
C25 C23 C22 109.5(2) . . ?
C25 C23 C24 109.1(2) . . ?
C17 C16 C21 108.6(2) . . ?
C22 C16 C17 109.1(2) . . ?
C22 C16 C21 109.7(2) . . ?
C20 C24 C23 110.24(16) . . ?
C2 C3 C4 109.6(2) . . ?
C2 C3 C14 109.69(17) . . ?
C4 C3 C14 108.83(17) . . ?
C23 C25 C18 109.2(2) . . ?

_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 4.816
_oxdiff_exptl_absorpt_empirical_full_min 0.373
