# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
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data_240522lxy
_database_code_depnum_ccdc_archive 'CCDC 2357268'
loop_
_audit_author_name
_audit_author_address
'Xiaoyu Lu'
;Chuzhou University
China
;
_audit_update_record             
;
2024-05-22 deposited with the CCDC.	2024-05-31 downloaded from the CCDC.
;
_audit_creation_date             2024-05-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H23 F Ge O'
_chemical_formula_sum            'C27 H23 F Ge O'
_chemical_formula_weight         455.04
_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 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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                   9.87890(10)
_cell_length_b                   11.0575(2)
_cell_length_c                   11.8202(2)
_cell_angle_alpha                106.2010(10)
_cell_angle_beta                 104.2420(10)
_cell_angle_gamma                105.0350(10)
_cell_volume                     1124.69(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9955
_cell_measurement_temperature    170.00
_cell_measurement_theta_max      54.948
_cell_measurement_theta_min      3.872
_shelx_estimated_absorpt_T_max   0.936
_shelx_estimated_absorpt_T_min   0.805
_exptl_absorpt_coefficient_mu    1.337
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.5757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1651 before and 0.0786 after correction.
The Ratio of minimum to maximum transmission is 0.7668.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17576
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.949
_diffrn_reflns_theta_min         3.870
_diffrn_ambient_temperature      170.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1995708
_diffrn_source_voltage           69.78
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4030
_reflns_number_total             4228
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4228
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0342
_refine_ls_restrained_S_all      1.034
_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)+(0.0461P)²+0.7452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0914
_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. Rigid bond restraints
 Ge1, C1
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27)
3.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_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
Ge1 Ge 0.70785(2) 0.24626(2) 0.38279(2) 0.01985(10) Uani 1 1 d . U . . .
F1 F 0.55768(13) 0.38569(13) 0.51092(11) 0.0373(3) Uani 1 1 d . . . . .
O1 O 0.87089(18) 0.81779(17) 1.10276(14) 0.0433(4) Uani 1 1 d . . . . .
C1 C 0.6966(2) 0.37463(19) 0.52872(18) 0.0231(4) Uani 1 1 d . U . . .
C2 C 0.8028(2) 0.44083(19) 0.63999(18) 0.0233(4) Uani 1 1 d . . . . .
H2 H 0.894244 0.426178 0.644112 0.028 Uiso 1 1 calc R U . . .
C3 C 0.8060(2) 0.53241(18) 0.75798(17) 0.0226(4) Uani 1 1 d . . . . .
C4 C 0.6905(2) 0.5787(2) 0.77426(18) 0.0254(4) Uani 1 1 d . . . . .
H4 H 0.598676 0.545132 0.706589 0.031 Uiso 1 1 calc R U . . .
C5 C 0.7078(2) 0.6732(2) 0.88798(19) 0.0282(4) Uani 1 1 d . . . . .
H5 H 0.628316 0.703806 0.897358 0.034 Uiso 1 1 calc R U . . .
C6 C 0.8409(2) 0.7227(2) 0.98742(19) 0.0303(4) Uani 1 1 d . . . . .
C7 C 0.9548(2) 0.6744(2) 0.9742(2) 0.0385(5) Uani 1 1 d . . . . .
H7 H 1.045011 0.705801 1.043100 0.046 Uiso 1 1 calc R U . . .
C8 C 0.9375(2) 0.5812(2) 0.8617(2) 0.0326(5) Uani 1 1 d . . . . .
H8 H 1.016499 0.549179 0.854093 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7710(4) 0.8881(3) 1.1136(3) 0.0594(8) Uani 1 1 d . . . . .
H9A H 0.757069 0.925635 1.047405 0.089 Uiso 1 1 calc R U . . .
H9B H 0.812077 0.961287 1.195790 0.089 Uiso 1 1 calc R U . . .
H9C H 0.674709 0.826220 1.105038 0.089 Uiso 1 1 calc R U . . .
C10 C 0.9006(2) 0.22440(18) 0.43028(17) 0.0217(4) Uani 1 1 d . . . . .
C11 C 0.9496(2) 0.1863(2) 0.53160(19) 0.0284(4) Uani 1 1 d . . . . .
H11 H 0.887271 0.169500 0.579319 0.034 Uiso 1 1 calc R U . . .
C12 C 1.0883(2) 0.1726(2) 0.5636(2) 0.0345(5) Uani 1 1 d . . . . .
H12 H 1.120090 0.146297 0.632625 0.041 Uiso 1 1 calc R U . . .
C13 C 1.1803(2) 0.1973(2) 0.4950(2) 0.0385(5) Uani 1 1 d . . . . .
H13 H 1.275438 0.188336 0.516927 0.046 Uiso 1 1 calc R U . . .
C14 C 1.1333(3) 0.2348(3) 0.3948(3) 0.0407(6) Uani 1 1 d . . . . .
H14 H 1.196201 0.251023 0.347385 0.049 Uiso 1 1 calc R U . . .
C15 C 0.9952(2) 0.2491(2) 0.3624(2) 0.0307(4) Uani 1 1 d . . . . .
H15 H 0.964672 0.275839 0.293486 0.037 Uiso 1 1 calc R U . . .
C16 C 0.6861(2) 0.31183(19) 0.24474(17) 0.0230(4) Uani 1 1 d . . . . .
C17 C 0.7175(2) 0.4474(2) 0.2637(2) 0.0308(4) Uani 1 1 d . . . . .
H17 H 0.747298 0.511291 0.346122 0.037 Uiso 1 1 calc R U . . .
C18 C 0.7058(3) 0.4902(2) 0.1631(2) 0.0396(5) Uani 1 1 d . . . . .
H18 H 0.725615 0.582908 0.176653 0.048 Uiso 1 1 calc R U . . .
C19 C 0.6649(3) 0.3976(3) 0.0424(2) 0.0411(6) Uani 1 1 d . . . . .
H19 H 0.657714 0.427122 -0.026334 0.049 Uiso 1 1 calc R U . . .
C20 C 0.6352(3) 0.2640(3) 0.0226(2) 0.0372(5) Uani 1 1 d . . . . .
H20 H 0.608048 0.200999 -0.059859 0.045 Uiso 1 1 calc R U . . .
C21 C 0.6445(2) 0.2199(2) 0.12243(19) 0.0303(4) Uani 1 1 d . . . . .
H21 H 0.622458 0.126777 0.107685 0.036 Uiso 1 1 calc R U . . .
C22 C 0.5433(2) 0.07808(19) 0.33328(17) 0.0228(4) Uani 1 1 d . . . . .
C23 C 0.5669(2) -0.0345(2) 0.35245(19) 0.0276(4) Uani 1 1 d . . . . .
H23 H 0.665925 -0.031461 0.386488 0.033 Uiso 1 1 calc R U . . .
C24 C 0.4475(2) -0.1512(2) 0.32249(19) 0.0324(5) Uani 1 1 d . . . . .
H24 H 0.465046 -0.227413 0.336018 0.039 Uiso 1 1 calc R U . . .
C25 C 0.3030(2) -0.1561(2) 0.27293(18) 0.0304(5) Uani 1 1 d . . . . .
H25 H 0.221357 -0.235885 0.252311 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2771(2) -0.0456(2) 0.2533(2) 0.0339(5) Uani 1 1 d . . . . .
H26 H 0.177795 -0.049007 0.219767 0.041 Uiso 1 1 calc R U . . .
C27 C 0.3971(2) 0.0711(2) 0.2829(2) 0.0305(4) Uani 1 1 d . . . . .
H27 H 0.378922 0.146661 0.268444 0.037 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
Ge1 C1 1.9525(19) . ?
Ge1 C10 1.9461(19) . ?
Ge1 C16 1.9502(19) . ?
Ge1 C22 1.9493(19) . ?
F1 C1 1.379(2) . ?
O1 C6 1.376(2) . ?
O1 C9 1.414(3) . ?
C1 C2 1.324(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.465(3) . ?
C3 C4 1.400(3) . ?
C3 C8 1.402(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(3) . ?
C6 C7 1.388(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(3) . ?
C8 H8 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.396(3) . ?
C10 C15 1.396(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.375(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(3) . ?
C16 C21 1.401(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.369(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.389(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(3) . ?
C22 C27 1.393(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(3) . ?
C27 H27 0.9500 . ?

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
C10 Ge1 C1 108.30(8) . . ?
C10 Ge1 C16 110.05(8) . . ?
C10 Ge1 C22 111.78(8) . . ?
C16 Ge1 C1 110.25(8) . . ?
C22 Ge1 C1 107.16(8) . . ?
C22 Ge1 C16 109.26(8) . . ?
C6 O1 C9 117.49(18) . . ?
F1 C1 Ge1 113.48(12) . . ?
C2 C1 Ge1 126.66(15) . . ?
C2 C1 F1 119.67(17) . . ?
C1 C2 H2 113.9 . . ?
C1 C2 C3 132.11(18) . . ?
C3 C2 H2 113.9 . . ?
C4 C3 C2 125.27(17) . . ?
C4 C3 C8 117.46(18) . . ?
C8 C3 C2 117.23(17) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.10(18) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.98(19) . . ?
C6 C5 H5 120.0 . . ?
O1 C6 C5 124.77(19) . . ?
O1 C6 C7 115.58(19) . . ?
C5 C6 C7 119.65(19) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(2) . . ?
C8 C7 H7 119.9 . . ?
C3 C8 H8 119.2 . . ?
C7 C8 C3 121.52(19) . . ?
C7 C8 H8 119.2 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 Ge1 122.37(14) . . ?
C11 C10 C15 118.16(18) . . ?
C15 C10 Ge1 119.47(15) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.92(19) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(2) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.7(2) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.7(2) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.5(2) . . ?
C14 C15 H15 119.7 . . ?
C17 C16 Ge1 122.45(15) . . ?
C17 C16 C21 118.61(19) . . ?
C21 C16 Ge1 118.86(15) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.5(2) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(2) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(2) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(2) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 Ge1 121.80(15) . . ?
C23 C22 C27 118.47(18) . . ?
C27 C22 Ge1 119.66(15) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 120.92(19) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(2) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.26(19) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(2) . . ?
C27 C26 H26 120.1 . . ?
C22 C27 C26 120.8(2) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?

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
Ge1 C1 C2 C3 -175.77(16) . . . . ?
Ge1 C10 C11 C12 -179.50(16) . . . . ?
Ge1 C10 C15 C14 179.70(17) . . . . ?
Ge1 C16 C17 C18 177.62(16) . . . . ?
Ge1 C16 C21 C20 -176.77(16) . . . . ?
Ge1 C22 C23 C24 176.61(15) . . . . ?
Ge1 C22 C27 C26 -176.36(16) . . . . ?
F1 C1 C2 C3 -1.0(3) . . . . ?
O1 C6 C7 C8 -178.5(2) . . . . ?
C1 C2 C3 C4 -5.3(4) . . . . ?
C1 C2 C3 C8 177.1(2) . . . . ?
C2 C3 C4 C5 -175.41(19) . . . . ?
C2 C3 C8 C7 175.7(2) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C4 C3 C8 C7 -2.1(3) . . . . ?
C4 C5 C6 O1 178.7(2) . . . . ?
C4 C5 C6 C7 -2.0(3) . . . . ?
C5 C6 C7 C8 2.1(4) . . . . ?
C6 C7 C8 C3 0.0(4) . . . . ?
C8 C3 C4 C5 2.2(3) . . . . ?
C9 O1 C6 C5 -12.4(4) . . . . ?
C9 O1 C6 C7 168.3(2) . . . . ?
C10 C11 C12 C13 0.2(3) . . . . ?
C11 C10 C15 C14 0.5(3) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
C12 C13 C14 C15 0.5(4) . . . . ?
C13 C14 C15 C10 -0.6(4) . . . . ?
C15 C10 C11 C12 -0.3(3) . . . . ?
C16 C17 C18 C19 -1.2(3) . . . . ?
C17 C16 C21 C20 0.1(3) . . . . ?
C17 C18 C19 C20 0.5(4) . . . . ?
C18 C19 C20 C21 0.5(4) . . . . ?
C19 C20 C21 C16 -0.8(3) . . . . ?
C21 C16 C17 C18 0.9(3) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
C23 C22 C27 C26 0.6(3) . . . . ?
C23 C24 C25 C26 -0.1(3) . . . . ?
C24 C25 C26 C27 0.4(3) . . . . ?
C25 C26 C27 C22 -0.6(3) . . . . ?
C27 C22 C23 C24 -0.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
