# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_Marek144b
_audit_block_doi                 10.5517/ccdc.csd.cc21cv09
_database_code_depnum_ccdc_archive 'CCDC 1888210'
loop_
_audit_author_name
_audit_author_address
Natalia
;technion crystallograper
Israel
;
_audit_update_record             
;
2019-01-01 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            'Marek144b (Veeru)'
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H36 O Si'
_chemical_formula_sum            'C26 H36 O Si'
_chemical_formula_weight         392.64

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9935(12)
_cell_length_b                   17.041(3)
_cell_length_c                   17.626(3)
_cell_angle_alpha                93.882(4)
_cell_angle_beta                 98.155(3)
_cell_angle_gamma                92.157(4)
_cell_volume                     2368.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    8389
_cell_measurement_theta_min      1.170
_cell_measurement_theta_max      25.089

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.101
_exptl_crystal_F_000             856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.112
_shelx_estimated_absorpt_T_min   0.974
_shelx_estimated_absorpt_T_max   0.980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.959
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'APEX2 (Bruker AXS)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 95
_diffrn_reflns_number            20538
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.170
_diffrn_reflns_theta_max         25.089
_diffrn_reflns_theta_full        25.089
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             8389
_reflns_number_gt                5679
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
_computing_cell_refinement       'APEX2 v2010.7-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0584P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8389
_refine_ls_number_parameters     505
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.1150
_refine_ls_wR_factor_gt          0.1052
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_restrained_S_all      0.943
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C -0.3690(3) 0.24160(14) -0.03120(13) 0.0445(6) Uani 1 1 d . . . . .
H1A H -0.4334 0.2468 -0.0821 0.067 Uiso 1 1 calc R U . . .
H1B H -0.4364 0.2590 0.0085 0.067 Uiso 1 1 calc R U . . .
H1C H -0.3423 0.1864 -0.0259 0.067 Uiso 1 1 calc R U . . .
C2 C -0.0466(3) 0.27165(16) -0.09853(13) 0.0584(7) Uani 1 1 d . . . . .
H2A H -0.0279 0.2152 -0.0971 0.088 Uiso 1 1 calc R U . . .
H2B H 0.0627 0.3012 -0.0914 0.088 Uiso 1 1 calc R U . . .
H2C H -0.1105 0.2817 -0.1483 0.088 Uiso 1 1 calc R U . . .
C3 C -0.2187(3) 0.40894(13) -0.02817(14) 0.0524(7) Uani 1 1 d . . . . .
H3A H -0.3039 0.4135 -0.0733 0.079 Uiso 1 1 calc R U . . .
H3B H -0.1157 0.4398 -0.0336 0.079 Uiso 1 1 calc R U . . .
H3C H -0.2627 0.4289 0.0182 0.079 Uiso 1 1 calc R U . . .
C4 C -0.1389(3) 0.41083(12) 0.30522(13) 0.0465(6) Uani 1 1 d . . . . .
H4A H -0.0883 0.4476 0.2735 0.070 Uiso 1 1 calc R U . . .
H4B H -0.0677 0.4107 0.3553 0.070 Uiso 1 1 calc R U . . .
H4C H -0.2520 0.4273 0.3126 0.070 Uiso 1 1 calc R U . . .
C5 C 0.0102(2) 0.30857(12) 0.25606(12) 0.0314(5) Uani 1 1 d . . . . .
H5A H 0.0785 0.2996 0.3059 0.038 Uiso 1 1 calc R U . . .
H5B H 0.0709 0.3491 0.2312 0.038 Uiso 1 1 calc R U . . .
C6 C -0.0148(2) 0.23134(11) 0.20415(11) 0.0271(5) Uani 1 1 d . . . . .
C7 C -0.1092(2) 0.16825(12) 0.24087(11) 0.0298(5) Uani 1 1 d . . . . .
C8 C -0.2171(2) 0.11139(12) 0.19658(12) 0.0337(5) Uani 1 1 d . . . . .
H8 H -0.2375 0.1141 0.1424 0.040 Uiso 1 1 calc R U . . .
C9 C -0.2956(3) 0.05095(13) 0.22907(14) 0.0434(6) Uani 1 1 d . . . . .
H9 H -0.3677 0.0127 0.1973 0.052 Uiso 1 1 calc R U . . .
C10 C -0.2693(3) 0.04636(14) 0.30713(15) 0.0479(6) Uani 1 1 d . . . . .
H10 H -0.3221 0.0047 0.3296 0.057 Uiso 1 1 calc R U . . .
C11 C -0.1657(3) 0.10263(15) 0.35277(14) 0.0486(6) Uani 1 1 d . . . . .
H11 H -0.1480 0.1000 0.4070 0.058 Uiso 1 1 calc R U . . .
C12 C -0.0875(3) 0.16267(13) 0.32014(12) 0.0397(6) Uani 1 1 d . . . . .
H12 H -0.0172 0.2012 0.3525 0.048 Uiso 1 1 calc R U . . .
C13 C 0.1645(2) 0.20314(11) 0.18627(11) 0.0285(5) Uani 1 1 d . . . . .
C14 C 0.2736(3) 0.18126(13) 0.25973(12) 0.0411(6) Uani 1 1 d . . . . .
H14A H 0.2929 0.2274 0.2967 0.062 Uiso 1 1 calc R U . . .
H14B H 0.3825 0.1635 0.2474 0.062 Uiso 1 1 calc R U . . .
H14C H 0.2153 0.1388 0.2821 0.062 Uiso 1 1 calc R U . . .
C15 C 0.2459(2) 0.27035(12) 0.14932(11) 0.0286(5) Uani 1 1 d . . . . .
C16 C 0.4163(2) 0.29476(12) 0.16807(12) 0.0343(5) Uani 1 1 d . . . . .
H16 H 0.4865 0.2684 0.2054 0.041 Uiso 1 1 calc R U . . .
C17 C 0.4855(3) 0.35650(13) 0.13361(12) 0.0376(5) Uani 1 1 d . . . . .
H17 H 0.6016 0.3724 0.1476 0.045 Uiso 1 1 calc R U . . .
C18 C 0.3855(3) 0.39482(13) 0.07908(13) 0.0395(6) Uani 1 1 d . . . . .
H18 H 0.4319 0.4375 0.0556 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2164(3) 0.37067(12) 0.05869(12) 0.0353(5) Uani 1 1 d . . . . .
H19 H 0.1484 0.3967 0.0204 0.042 Uiso 1 1 calc R U . . .
C20 C 0.1445(2) 0.30936(12) 0.09304(11) 0.0281(5) Uani 1 1 d . . . . .
C21 C -0.0406(2) 0.28745(11) 0.07481(11) 0.0269(5) Uani 1 1 d . . . . .
C22 C -0.1122(2) 0.25224(11) 0.12803(11) 0.0264(5) Uani 1 1 d . . . . .
H22 H -0.2303 0.2394 0.1180 0.032 Uiso 1 1 calc R U . . .
C23 C 0.1410(2) 0.12910(11) 0.12824(12) 0.0331(5) Uani 1 1 d . . . . .
H23A H 0.0794 0.0871 0.1507 0.040 Uiso 1 1 calc R U . . .
H23B H 0.0689 0.1425 0.0809 0.040 Uiso 1 1 calc R U . . .
C24 C 0.3028(3) 0.09649(14) 0.10602(14) 0.0593(7) Uani 1 1 d D . . . .
H24A H 0.3726 0.1401 0.0903 0.071 Uiso 1 1 calc R U . . .
H24B H 0.3676 0.0754 0.1517 0.071 Uiso 1 1 calc R U . . .
C25 C 0.2739(4) 0.03256(15) 0.04193(13) 0.0893(8) Uani 1 1 d D . . . .
H25A H 0.3794 0.0044 0.0401 0.107 Uiso 1 1 calc R U . . .
H25B H 0.1853 -0.0058 0.0523 0.107 Uiso 1 1 calc R U . . .
C26 C 0.2206(4) 0.06489(18) -0.03426(16) 0.0893(8) Uani 1 1 d D . . . .
H26A H 0.2061 0.0218 -0.0748 0.134 Uiso 1 1 calc R U . . .
H26B H 0.3076 0.1033 -0.0444 0.134 Uiso 1 1 calc R U . . .
H26C H 0.1133 0.0907 -0.0334 0.134 Uiso 1 1 calc R U . . .
O1 O -0.15157(17) 0.33454(8) 0.26818(8) 0.0375(4) Uani 1 1 d . . . . .
Si1 Si -0.16865(7) 0.30365(3) -0.02018(3) 0.03292(16) Uani 1 1 d . . . . .
C1A C 0.6704(3) 0.02315(13) 0.62097(15) 0.0538(7) Uani 1 1 d . . . . .
H1AA H 0.6004 -0.0112 0.6474 0.081 Uiso 1 1 calc R U . . .
H1AB H 0.7648 -0.0060 0.6054 0.081 Uiso 1 1 calc R U . . .
H1AC H 0.6017 0.0410 0.5754 0.081 Uiso 1 1 calc R U . . .
C2A C 0.5771(3) 0.14965(13) 0.73369(13) 0.0427(6) Uani 1 1 d . . . . .
H2AA H 0.4847 0.1617 0.6941 0.064 Uiso 1 1 calc R U . . .
H2AB H 0.6169 0.1977 0.7659 0.064 Uiso 1 1 calc R U . . .
H2AC H 0.5364 0.1103 0.7657 0.064 Uiso 1 1 calc R U . . .
C3A C 0.9199(3) 0.07733(15) 0.76214(13) 0.0553(7) Uani 1 1 d . . . . .
H3AA H 0.8657 0.0485 0.7991 0.083 Uiso 1 1 calc R U . . .
H3AB H 0.9851 0.1234 0.7889 0.083 Uiso 1 1 calc R U . . .
H3AC H 0.9957 0.0429 0.7379 0.083 Uiso 1 1 calc R U . . .
C4A C 0.5430(3) 0.27481(13) 0.41408(12) 0.0436(6) Uani 1 1 d . . . . .
H4AA H 0.5883 0.3096 0.3790 0.065 Uiso 1 1 calc R U . . .
H4AB H 0.4191 0.2743 0.4054 0.065 Uiso 1 1 calc R U . . .
H4AC H 0.5801 0.2213 0.4045 0.065 Uiso 1 1 calc R U . . .
C5A C 0.7832(2) 0.30988(12) 0.50525(8) 0.0267(3) Uani 1 1 d D . . . .
H5AA H 0.8242 0.3527 0.4763 0.032 Uiso 1 1 calc R U . . .
H5AB H 0.8311 0.2602 0.4877 0.032 Uiso 1 1 calc R U . . .
C6A C 0.8404(2) 0.32781(11) 0.58998(8) 0.0267(3) Uani 1 1 d D . . . .
C7A C 0.7697(2) 0.40457(11) 0.62001(11) 0.0255(4) Uani 1 1 d . . . . .
C8A C 0.7188(2) 0.46336(12) 0.57253(12) 0.0321(5) Uani 1 1 d . . . . .
H8A H 0.7289 0.4564 0.5195 0.039 Uiso 1 1 calc R U . . .
C9A C 0.6536(3) 0.53208(12) 0.60017(13) 0.0386(5) Uani 1 1 d . . . . .
H9A H 0.6188 0.5711 0.5660 0.046 Uiso 1 1 calc R U . . .
C10A C 0.6392(3) 0.54391(12) 0.67660(13) 0.0376(5) Uani 1 1 d . . . . .
H10A H 0.5959 0.5913 0.6957 0.045 Uiso 1 1 calc R U . . .
C11A C 0.6883(2) 0.48645(12) 0.72552(12) 0.0354(5) Uani 1 1 d . . . . .
H11A H 0.6795 0.4943 0.7787 0.043 Uiso 1 1 calc R U . . .
C12A C 0.7503(2) 0.41743(12) 0.69707(11) 0.0293(5) Uani 1 1 d . . . . .
H12A H 0.7804 0.3777 0.7311 0.035 Uiso 1 1 calc R U . . .
C13A C 1.0419(2) 0.33028(11) 0.60547(11) 0.0258(5) Uani 1 1 d . . . . .
C14A C 1.1143(3) 0.39457(12) 0.56026(12) 0.0349(5) Uani 1 1 d . . . . .
H14D H 1.0873 0.3798 0.5050 0.052 Uiso 1 1 calc R U . . .
H14E H 1.2374 0.4001 0.5747 0.052 Uiso 1 1 calc R U . . .
H14F H 1.0644 0.4448 0.5723 0.052 Uiso 1 1 calc R U . . .
C15A C 1.0973(2) 0.24817(12) 0.58184(10) 0.0275(5) Uani 1 1 d . . . . .
C16A C 1.2400(3) 0.23717(13) 0.54654(12) 0.0358(5) Uani 1 1 d . . . . .
H16A H 1.3026 0.2819 0.5341 0.043 Uiso 1 1 calc R U . . .
C17A C 1.2935(3) 0.16261(14) 0.52896(12) 0.0423(6) Uani 1 1 d . . . . .
H17A H 1.3912 0.1565 0.5045 0.051 Uiso 1 1 calc R U . . .
C18A C 1.2053(3) 0.09763(14) 0.54695(12) 0.0403(6) Uani 1 1 d . . . . .
H18A H 1.2415 0.0464 0.5350 0.048 Uiso 1 1 calc R U . . .
C19A C 1.0633(3) 0.10695(12) 0.58254(12) 0.0345(5) Uani 1 1 d . . . . .
H19A H 1.0030 0.0617 0.5951 0.041 Uiso 1 1 calc R U . . .
C20A C 1.0070(2) 0.18132(12) 0.60034(11) 0.0273(5) Uani 1 1 d . . . . .
C21A C 0.8487(2) 0.18993(11) 0.63539(11) 0.0265(5) Uani 1 1 d . . . . .
C22A C 0.7748(2) 0.25900(11) 0.62988(10) 0.0252(4) Uani 1 1 d . . . . .
H22A H 0.6746 0.2654 0.6524 0.030 Uiso 1 1 calc R U . . .
C23A C 1.1090(2) 0.34861(12) 0.69208(11) 0.0289(5) Uani 1 1 d . . . . .
H23C H 1.0702 0.4008 0.7083 0.035 Uiso 1 1 calc R U . . .
H23D H 1.0567 0.3091 0.7213 0.035 Uiso 1 1 calc R U . . .
C24A C 1.3009(2) 0.34912(14) 0.71458(12) 0.0387(5) Uani 1 1 d . . . . .
H24C H 1.3439 0.3016 0.6899 0.046 Uiso 1 1 calc R U . . .
H24D H 1.3529 0.3957 0.6947 0.046 Uiso 1 1 calc R U . . .
C25A C 1.3555(3) 0.35104(14) 0.80059(12) 0.0437(6) Uani 1 1 d . . . . .
H25C H 1.3047 0.3040 0.8202 0.052 Uiso 1 1 calc R U . . .
H25D H 1.4800 0.3478 0.8106 0.052 Uiso 1 1 calc R U . . .
C26A C 1.3065(3) 0.42361(15) 0.84486(13) 0.0551(7) Uani 1 1 d . . . . .
H26D H 1.3526 0.4708 0.8247 0.083 Uiso 1 1 calc R U . . .
H26E H 1.3522 0.4222 0.8993 0.083 Uiso 1 1 calc R U . . .
H26F H 1.1829 0.4249 0.8392 0.083 Uiso 1 1 calc R U . . .
O1A O 0.60295(16) 0.30253(8) 0.49084(7) 0.0345(4) Uani 1 1 d . . . . .
Si1A Si 0.75479(7) 0.11014(3) 0.68705(3) 0.03233(16) Uani 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
C1 Si1 1.864(2) . ?
C2 Si1 1.865(2) . ?
C3 Si1 1.863(2) . ?
C4 O1 1.408(2) . ?
C5 O1 1.422(2) . ?
C5 C6 1.541(3) . ?
C6 C7 1.522(3) . ?
C6 C22 1.524(3) . ?
C6 C13 1.595(3) . ?
C7 C8 1.392(3) . ?
C7 C12 1.393(3) . ?
C8 C9 1.384(3) . ?
C9 C10 1.370(3) . ?
C10 C11 1.378(3) . ?
C11 C12 1.379(3) . ?
C13 C15 1.524(3) . ?
C13 C14 1.532(3) . ?
C13 C23 1.558(3) . ?
C15 C16 1.396(3) . ?
C15 C20 1.409(3) . ?
C16 C17 1.385(3) . ?
C17 C18 1.377(3) . ?
C18 C19 1.388(3) . ?
C19 C20 1.389(3) . ?
C20 C21 1.496(3) . ?
C21 C22 1.330(3) . ?
C21 Si1 1.878(2) . ?
C23 C24 1.517(3) . ?
C24 C25 1.5023(10) . ?
C25 C26 1.4979(10) . ?
C1A Si1A 1.865(2) . ?
C2A Si1A 1.864(2) . ?
C3A Si1A 1.862(2) . ?
C4A O1A 1.413(2) . ?
C5A O1A 1.426(2) . ?
C5A C6A 1.5057(10) . ?
C6A C22A 1.521(3) . ?
C6A C7A 1.535(3) . ?
C6A C13A 1.594(2) . ?
C7A C8A 1.385(3) . ?
C7A C12A 1.393(3) . ?
C8A C9A 1.386(3) . ?
C9A C10A 1.370(3) . ?
C10A C11A 1.380(3) . ?
C11A C12A 1.384(3) . ?
C13A C15A 1.532(3) . ?
C13A C14A 1.540(3) . ?
C13A C23A 1.551(3) . ?
C15A C16A 1.388(3) . ?
C15A C20A 1.407(3) . ?
C16A C17A 1.385(3) . ?
C17A C18A 1.370(3) . ?
C18A C19A 1.381(3) . ?
C19A C20A 1.392(3) . ?
C20A C21A 1.493(3) . ?
C21A C22A 1.340(3) . ?
C21A Si1A 1.878(2) . ?
C23A C24A 1.529(3) . ?
C24A C25A 1.515(3) . ?
C25A C26A 1.511(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
O1 C5 C6 108.48(15) . . ?
C7 C6 C22 112.08(15) . . ?
C7 C6 C5 110.99(16) . . ?
C22 C6 C5 105.88(15) . . ?
C7 C6 C13 111.54(15) . . ?
C22 C6 C13 106.61(15) . . ?
C5 C6 C13 109.49(15) . . ?
C8 C7 C12 116.58(19) . . ?
C8 C7 C6 121.49(18) . . ?
C12 C7 C6 121.89(18) . . ?
C9 C8 C7 122.0(2) . . ?
C10 C9 C8 120.0(2) . . ?
C9 C10 C11 119.5(2) . . ?
C10 C11 C12 120.3(2) . . ?
C11 C12 C7 121.6(2) . . ?
C15 C13 C14 112.34(16) . . ?
C15 C13 C23 108.70(16) . . ?
C14 C13 C23 107.90(16) . . ?
C15 C13 C6 106.78(15) . . ?
C14 C13 C6 110.79(16) . . ?
C23 C13 C6 110.32(15) . . ?
C16 C15 C20 118.37(19) . . ?
C16 C15 C13 123.23(18) . . ?
C20 C15 C13 118.40(16) . . ?
C17 C16 C15 121.6(2) . . ?
C18 C17 C16 119.84(19) . . ?
C17 C18 C19 119.5(2) . . ?
C18 C19 C20 121.5(2) . . ?
C19 C20 C15 119.22(18) . . ?
C19 C20 C21 121.12(18) . . ?
C15 C20 C21 119.56(18) . . ?
C22 C21 C20 117.18(17) . . ?
C22 C21 Si1 120.10(14) . . ?
C20 C21 Si1 122.67(14) . . ?
C21 C22 C6 123.52(17) . . ?
C24 C23 C13 115.60(16) . . ?
C25 C24 C23 113.8(2) . . ?
C26 C25 C24 111.7(2) . . ?
C4 O1 C5 111.18(15) . . ?
C3 Si1 C1 109.63(11) . . ?
C3 Si1 C2 109.23(12) . . ?
C1 Si1 C2 108.52(11) . . ?
C3 Si1 C21 111.90(10) . . ?
C1 Si1 C21 108.73(9) . . ?
C2 Si1 C21 108.77(10) . . ?
O1A C5A C6A 109.54(14) . . ?
C5A C6A C22A 106.42(14) . . ?
C5A C6A C7A 111.78(15) . . ?
C22A C6A C7A 109.73(14) . . ?
C5A C6A C13A 108.71(14) . . ?
C22A C6A C13A 108.05(15) . . ?
C7A C6A C13A 111.93(14) . . ?
C8A C7A C12A 116.63(18) . . ?
C8A C7A C6A 122.45(17) . . ?
C12A C7A C6A 120.91(16) . . ?
C7A C8A C9A 121.93(19) . . ?
C10A C9A C8A 120.2(2) . . ?
C9A C10A C11A 119.4(2) . . ?
C10A C11A C12A 119.9(2) . . ?
C11A C12A C7A 121.88(19) . . ?
C15A C13A C14A 112.24(15) . . ?
C15A C13A C23A 107.72(15) . . ?
C14A C13A C23A 108.41(15) . . ?
C15A C13A C6A 107.38(15) . . ?
C14A C13A C6A 109.89(15) . . ?
C23A C13A C6A 111.20(14) . . ?
C16A C15A C20A 118.42(19) . . ?
C16A C15A C13A 122.16(18) . . ?
C20A C15A C13A 119.31(16) . . ?
C17A C16A C15A 121.6(2) . . ?
C18A C17A C16A 119.9(2) . . ?
C17A C18A C19A 119.7(2) . . ?
C18A C19A C20A 121.3(2) . . ?
C19A C20A C15A 119.08(18) . . ?
C19A C20A C21A 120.45(18) . . ?
C15A C20A C21A 120.42(17) . . ?
C22A C21A C20A 116.92(18) . . ?
C22A C21A Si1A 120.00(15) . . ?
C20A C21A Si1A 123.06(14) . . ?
C21A C22A C6A 124.46(17) . . ?
C24A C23A C13A 116.03(16) . . ?
C25A C24A C23A 113.20(18) . . ?
C26A C25A C24A 114.25(19) . . ?
C4A O1A C5A 111.90(14) . . ?
C3A Si1A C2A 109.21(11) . . ?
C3A Si1A C1A 108.65(12) . . ?
C2A Si1A C1A 108.11(11) . . ?
C3A Si1A C21A 109.26(10) . . ?
C2A Si1A C21A 109.19(9) . . ?
C1A Si1A C21A 112.36(10) . . ?

_refine_diff_density_max         0.730
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.043

####################################################################### 
# 
# 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_marek153b
_database_code_depnum_ccdc_archive 'CCDC 1937437'
loop_
_audit_author_name
_audit_author_address
'Natalia Fridman'
;Chemical Crystallographer
Israel
;
_audit_update_record             
;
2019-07-01 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;
_audit_creation_date             2019-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H37 F O2 Si'
_chemical_formula_sum            'C27 H37 F O2 Si'
_chemical_formula_weight         440.65
_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 0.0033 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'
F F 0.0171 0.0103 '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'
Si Si 0.0817 0.0704 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.3821(15)
_cell_length_b                   12.1651(12)
_cell_length_c                   16.6919(18)
_cell_angle_alpha                90
_cell_angle_beta                 102.127(3)
_cell_angle_gamma                90
_cell_volume                     2656.7(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2010
_diffrn_reflns_av_unetI/netI     0.1374
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15337
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.103
_diffrn_reflns_theta_max         25.103
_diffrn_reflns_theta_min         1.556
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2246
_reflns_number_total             4623
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.299
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         4623
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1550
_refine_ls_R_factor_gt           0.0721
_refine_ls_restrained_S_all      0.972
_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)+(0.0781P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1988
_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:
 C5(H5A,H5B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C10(H10), C11(H11), C13(H13), C22(H22), C23(H23), C25(H25), C26(H26)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C16(H16A,
 H16B,H16C), C20(H20A,H20B,H20C), C27(H27A,H27B,H27C)
;
_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
Si1 Si 0.87320(8) 0.66343(9) 0.22703(7) 0.0700(4) Uani 1 1 d . . . . .
F1 F 0.94496(17) 0.2198(2) 0.48481(13) 0.0975(8) Uani 1 1 d . . . . .
O1 O 0.56974(19) 0.6411(2) 0.35858(15) 0.0772(8) Uani 1 1 d . . . . .
O2 O 0.2398(2) 0.5069(2) 0.03127(19) 0.1001(10) Uani 1 1 d . . . . .
C1 C 0.7905(3) 0.7412(4) 0.1416(3) 0.1163(18) Uani 1 1 d . . . . .
H1A H 0.832344 0.787525 0.115645 0.174 Uiso 1 1 calc GR . . . .
H1B H 0.742884 0.785578 0.163041 0.174 Uiso 1 1 calc GR . . . .
H1C H 0.753683 0.690317 0.102180 0.174 Uiso 1 1 calc GR . . . .
C2 C 0.9697(3) 0.5830(4) 0.1864(3) 0.1008(15) Uani 1 1 d . . . . .
H2A H 1.015283 0.547350 0.230848 0.151 Uiso 1 1 calc GR . . . .
H2B H 1.007833 0.631465 0.158682 0.151 Uiso 1 1 calc GR . . . .
H2C H 0.935672 0.528628 0.148587 0.151 Uiso 1 1 calc GR . . . .
C3 C 0.9410(3) 0.7647(4) 0.3029(3) 0.1241(19) Uani 1 1 d . . . . .
H3A H 0.891922 0.807978 0.323440 0.186 Uiso 1 1 calc GR . . . .
H3B H 0.982235 0.811895 0.276997 0.186 Uiso 1 1 calc GR . . . .
H3C H 0.983986 0.726341 0.347512 0.186 Uiso 1 1 calc GR . . . .
C4 C 0.5859(4) 0.6917(4) 0.4363(3) 0.128(2) Uani 1 1 d . . . . .
H4A H 0.564081 0.766939 0.430131 0.192 Uiso 1 1 calc GR . . . .
H4B H 0.657246 0.688813 0.461507 0.192 Uiso 1 1 calc GR . . . .
H4C H 0.547284 0.653674 0.470117 0.192 Uiso 1 1 calc GR . . . .
C5 C 0.6028(3) 0.5307(3) 0.3613(2) 0.0613(10) Uani 1 1 d . . . . .
H5A H 0.553540 0.484004 0.379988 0.074 Uiso 1 1 calc R . . . .
H5B H 0.667885 0.523593 0.399575 0.074 Uiso 1 1 calc R . . . .
C6 C 0.6142(2) 0.4941(3) 0.27489(19) 0.0512(9) Uani 1 1 d . . . . .
C7 C 0.6892(3) 0.5736(3) 0.2499(2) 0.0533(9) Uani 1 1 d . . . . .
H7 H 0.662372 0.633049 0.217341 0.064 Uiso 1 1 calc R . . . .
C8 C 0.7898(3) 0.5652(3) 0.2708(2) 0.0522(9) Uani 1 1 d . . . . .
C9 C 0.8322(2) 0.4713(3) 0.3254(2) 0.0528(9) Uani 1 1 d . . . . .
C10 C 0.9313(3) 0.4740(3) 0.3724(2) 0.0646(10) Uani 1 1 d . . . . .
H10 H 0.972457 0.534241 0.367778 0.077 Uiso 1 1 calc R . . . .
C11 C 0.9710(3) 0.3894(4) 0.4261(2) 0.0714(11) Uani 1 1 d . . . . .
H11 H 1.037604 0.391668 0.456805 0.086 Uiso 1 1 calc R . . . .
C12 C 0.9083(3) 0.3042(3) 0.4314(2) 0.0669(10) Uani 1 1 d . . . . .
C13 C 0.8101(3) 0.2962(3) 0.3871(2) 0.0605(10) Uani 1 1 d . . . . .
H13 H 0.770653 0.234984 0.392920 0.073 Uiso 1 1 calc R . . . .
C14 C 0.7692(2) 0.3804(3) 0.33295(19) 0.0509(8) Uani 1 1 d . . . . .
C15 C 0.6627(2) 0.3745(2) 0.27921(19) 0.0498(9) Uani 1 1 d . . . . .
C16 C 0.5948(2) 0.2907(3) 0.3126(2) 0.0654(10) Uani 1 1 d . . . . .
H16A H 0.623686 0.218513 0.312338 0.098 Uiso 1 1 calc GR . . . .
H16B H 0.527306 0.291237 0.278657 0.098 Uiso 1 1 calc GR . . . .
H16C H 0.591150 0.310280 0.367664 0.098 Uiso 1 1 calc GR . . . .
C17 C 0.6724(3) 0.3369(2) 0.1913(2) 0.0547(9) Uani 1 1 d . . . . .
H17A H 0.604546 0.336297 0.156473 0.066 Uiso 1 1 calc R . . . .
H17B H 0.712151 0.391617 0.169455 0.066 Uiso 1 1 calc R . . . .
C18 C 0.7207(3) 0.2256(3) 0.1850(2) 0.0697(11) Uani 1 1 d . . . . .
H18A H 0.788233 0.225470 0.220432 0.084 Uiso 1 1 calc R . . . .
H18B H 0.680290 0.170406 0.205656 0.084 Uiso 1 1 calc R . . . .
C19 C 0.7309(3) 0.1924(3) 0.1005(2) 0.0815(12) Uani 1 1 d . . . . .
H19A H 0.664393 0.198761 0.064058 0.098 Uiso 1 1 calc R . . . .
H19B H 0.776186 0.244216 0.081724 0.098 Uiso 1 1 calc R . . . .
C20 C 0.7707(3) 0.0785(3) 0.0926(3) 0.0972(14) Uani 1 1 d . . . . .
H20A H 0.787475 0.070152 0.039799 0.146 Uiso 1 1 calc GR . . . .
H20B H 0.719379 0.025791 0.098518 0.146 Uiso 1 1 calc GR . . . .
H20C H 0.830839 0.066674 0.134617 0.146 Uiso 1 1 calc GR . . . .
C21 C 0.5114(2) 0.4991(2) 0.2125(2) 0.0512(9) Uani 1 1 d . . . . .
C22 C 0.4197(3) 0.4715(3) 0.2328(2) 0.0628(10) Uani 1 1 d . . . . .
H22 H 0.419293 0.451700 0.286503 0.075 Uiso 1 1 calc R . . . .
C23 C 0.3271(3) 0.4723(3) 0.1745(3) 0.0716(11) Uani 1 1 d . . . . .
H23 H 0.266313 0.453084 0.189601 0.086 Uiso 1 1 calc R . . . .
C24 C 0.3272(3) 0.5022(3) 0.0943(3) 0.0673(10) Uani 1 1 d . . . . .
C25 C 0.4159(3) 0.5320(3) 0.0727(2) 0.0627(10) Uani 1 1 d . . . . .
H25 H 0.415652 0.553771 0.019209 0.075 Uiso 1 1 calc R . . . .
C26 C 0.5057(3) 0.5299(2) 0.1302(2) 0.0565(9) Uani 1 1 d . . . . .
H26 H 0.565716 0.549734 0.114138 0.068 Uiso 1 1 calc R . . . .
C27 C 0.1500(3) 0.4683(5) 0.0488(3) 0.1286(19) Uani 1 1 d . . . . .
H27A H 0.094581 0.482574 0.003284 0.193 Uiso 1 1 calc GR . . . .
H27B H 0.137400 0.504742 0.096711 0.193 Uiso 1 1 calc GR . . . .
H27C H 0.155566 0.390528 0.058671 0.193 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
Si1 C1 1.868(4) . ?
Si1 C2 1.858(4) . ?
Si1 C3 1.861(4) . ?
Si1 C8 1.884(3) . ?
F1 C12 1.380(4) . ?
O1 C4 1.411(4) . ?
O1 C5 1.411(4) . ?
O2 C24 1.400(4) . ?
O2 C27 1.377(5) . ?
C5 C6 1.547(4) . ?
C6 C7 1.515(4) . ?
C6 C15 1.588(4) . ?
C6 C21 1.543(4) . ?
C7 C8 1.322(4) . ?
C8 C9 1.496(4) . ?
C9 C10 1.392(4) . ?
C9 C14 1.413(4) . ?
C10 C11 1.395(5) . ?
C11 C12 1.349(5) . ?
C12 C13 1.370(5) . ?
C13 C14 1.398(4) . ?
C14 C15 1.518(4) . ?
C15 C16 1.545(4) . ?
C15 C17 1.568(4) . ?
C17 C18 1.514(4) . ?
C18 C19 1.501(5) . ?
C19 C20 1.500(5) . ?
C21 C22 1.381(4) . ?
C21 C26 1.410(4) . ?
C22 C23 1.406(5) . ?
C23 C24 1.389(5) . ?
C24 C25 1.360(5) . ?
C25 C26 1.372(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
C1 Si1 C8 108.24(17) . . ?
C2 Si1 C1 109.5(2) . . ?
C2 Si1 C3 108.7(2) . . ?
C2 Si1 C8 108.73(18) . . ?
C3 Si1 C1 108.1(2) . . ?
C3 Si1 C8 113.6(2) . . ?
C4 O1 C5 113.5(3) . . ?
C27 O2 C24 117.1(4) . . ?
O1 C5 C6 109.6(3) . . ?
C5 C6 C15 109.9(3) . . ?
C7 C6 C5 105.9(3) . . ?
C7 C6 C15 108.0(3) . . ?
C7 C6 C21 109.7(3) . . ?
C21 C6 C5 111.7(3) . . ?
C21 C6 C15 111.4(3) . . ?
C8 C7 C6 125.1(3) . . ?
C7 C8 Si1 120.1(3) . . ?
C7 C8 C9 117.1(3) . . ?
C9 C8 Si1 122.7(2) . . ?
C10 C9 C8 121.3(3) . . ?
C10 C9 C14 118.9(3) . . ?
C14 C9 C8 119.7(3) . . ?
C9 C10 C11 122.3(3) . . ?
C12 C11 C10 116.8(4) . . ?
C11 C12 F1 118.2(4) . . ?
C11 C12 C13 124.0(4) . . ?
C13 C12 F1 117.8(4) . . ?
C12 C13 C14 119.9(3) . . ?
C9 C14 C15 119.2(3) . . ?
C13 C14 C9 118.1(3) . . ?
C13 C14 C15 122.6(3) . . ?
C14 C15 C6 107.9(2) . . ?
C14 C15 C16 111.6(3) . . ?
C14 C15 C17 108.3(3) . . ?
C16 C15 C6 110.8(3) . . ?
C16 C15 C17 108.4(3) . . ?
C17 C15 C6 109.8(2) . . ?
C18 C17 C15 116.5(3) . . ?
C19 C18 C17 115.5(3) . . ?
C20 C19 C18 115.7(3) . . ?
C22 C21 C6 122.4(3) . . ?
C22 C21 C26 115.8(3) . . ?
C26 C21 C6 121.8(3) . . ?
C21 C22 C23 121.9(4) . . ?
C24 C23 C22 119.3(3) . . ?
C23 C24 O2 124.4(4) . . ?
C25 C24 O2 115.4(4) . . ?
C25 C24 C23 120.3(3) . . ?
C24 C25 C26 119.6(4) . . ?
C25 C26 C21 123.1(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
