# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_glo9468
_database_code_depnum_ccdc_archive 'CCDC 2032083'
loop_
_audit_author_name
_audit_author_address
'Constantin G. Daniliuc'
;Organisch Chemisches Institut WWU University of Muenster
Germany
;
_audit_update_record             
;
2020-09-15 deposited with the CCDC.	2021-12-21 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.1-0'
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Cl N Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         337.91

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   8.4528(3)
_cell_length_b                   10.0726(4)
_cell_length_c                   11.6966(6)
_cell_angle_alpha                77.560(4)
_cell_angle_beta                 75.781(3)
_cell_angle_gamma                68.597(2)
_cell_volume                     890.01(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3492
_cell_measurement_theta_min      4.08
_cell_measurement_theta_max      28.28
_cell_measurement_temperature    173.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             356

_exptl_absorpt_coefficient_mu    0.281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
;

_diffrn_ambient_temperature      173.(2)

_diffrn_source                   'Mo rotating anode'
_diffrn_source_type              'Mo rotating anode'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Montel mirror'

_diffrn_measurement_device_type  'rotating anode Nonius FR591'
_diffrn_measurement_method       'omega and phi scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            10193
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_theta_min         4.23
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14

_refine_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.

The C(CH3)=CH2 unit is disordered over two positions. Several restraints
(SADI, SAME, ISOR and SIMU) were used in order to improve refinement
stability.
;

_reflns_number_total             3548
_reflns_number_gt                3020
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0523
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1353
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.067
_refine_ls_number_reflns         3548
_refine_ls_number_parameters     232
_refine_ls_number_restraints     47
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0540P)²+0.7452P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.266
_refine_diff_density_min         -0.278
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       
;
Collect (Nonius B.V., 1998)
;
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 0.10910(9) 0.07328(7) 0.33047(6) 0.0426(2) Uani d . . . 1.0 . .
N N1 0.2661(2) 0.48456(19) 0.57877(16) 0.0283(4) Uani d . . . 1.0 . .
Si Si1 0.23434(8) 0.13888(7) 0.82061(6) 0.03134(18) Uani d . . . 1.0 . .
C C1 0.3034(3) 0.5315(2) 0.6675(2) 0.0309(5) Uani d . . . 1.0 . .
C C2 0.3352(3) 0.6632(2) 0.6328(2) 0.0337(5) Uani d . . . 1.0 . .
H H2 0.3626 0.7047 0.6878 0.04 Uiso calc U . R 1.0 . .
C C3 0.3261(3) 0.7317(2) 0.5175(2) 0.0360(5) Uani d . . . 1.0 . .
H H3 0.3475 0.8209 0.4951 0.043 Uiso calc U . R 1.0 . .
C C4 0.2865(3) 0.6755(2) 0.4314(2) 0.0339(5) Uani d . . . 1.0 . .
H H4 0.2812 0.726 0.3531 0.041 Uiso calc U . R 1.0 . .
C C5 0.2559(3) 0.5466(2) 0.46314(19) 0.0295(5) Uani d . . . 1.0 . .
C C6 0.2185(3) 0.4436(2) 0.4142(2) 0.0303(5) Uani d . . . 1.0 . .
C C7 0.1920(3) 0.4459(3) 0.3003(2) 0.0359(5) Uani d . . . 1.0 . .
H H7 0.1972 0.5253 0.2403 0.043 Uiso calc U . R 1.0 . .
C C8 0.1584(3) 0.3317(3) 0.2760(2) 0.0388(6) Uani d . . . 1.0 . .
H H8 0.1401 0.3319 0.199 0.047 Uiso calc U . R 1.0 . .
C C9 0.1513(3) 0.2157(2) 0.3657(2) 0.0334(5) Uani d . . . 1.0 . .
C C10 0.1782(3) 0.2083(2) 0.4788(2) 0.0313(5) Uani d . . . 1.0 . .
H H10 0.1742 0.1272 0.5371 0.038 Uiso calc U . R 1.0 . .
C C11 0.2115(3) 0.3237(2) 0.50534(19) 0.0288(5) Uani d . . . 1.0 . .
C C12 0.2436(3) 0.3531(2) 0.61156(19) 0.0278(4) Uani d . . . 1.0 . .
C C13 0.2673(3) 0.3088(2) 0.73197(19) 0.0298(5) Uani d . . . 1.0 . .
C C14 0.3042(3) 0.4198(2) 0.7659(2) 0.0323(5) Uani d . . . 1.0 . .
C C15 0.3458(4) 0.4246(3) 0.8807(2) 0.0428(6) Uani d U . D 1.0 . .
C C16 0.4768(14) 0.3317(12) 0.9244(9) 0.058(2) Uani d U P D 0.77(2) A 1
H H16A 0.553 0.2547 0.8823 0.07 Uiso calc U P R 0.77(2) A 1
H H16B 0.4966 0.3406 0.9985 0.07 Uiso calc U P R 0.77(2) A 1
C C17 0.2223(15) 0.5525(12) 0.9443(9) 0.060(2) Uani d U P D 0.77(2) A 1
H H17A 0.2211 0.6426 0.8916 0.09 Uiso calc U P R 0.77(2) A 1
H H17B 0.2614 0.5505 1.0171 0.09 Uiso calc U P R 0.77(2) A 1
H H17C 0.1055 0.546 0.9649 0.09 Uiso calc U P R 0.77(2) A 1
C C16A 0.271(4) 0.525(3) 0.945(3) 0.050(6) Uani d U P D 0.23(2) A 2
H H16C 0.18 0.6075 0.9211 0.06 Uiso calc U P R 0.23(2) A 2
H H16D 0.3077 0.5184 1.0178 0.06 Uiso calc U P R 0.23(2) A 2
C C17A 0.508(3) 0.297(2) 0.910(2) 0.036(5) Uani d U P D 0.23(2) A 2
H H17D 0.5052 0.2088 0.8896 0.054 Uiso calc U P R 0.23(2) A 2
H H17E 0.5094 0.2842 0.9956 0.054 Uiso calc U P R 0.23(2) A 2
H H17F 0.6125 0.3174 0.8644 0.054 Uiso calc U P R 0.23(2) A 2
C C18 0.2371(4) 0.1177(3) 0.9823(2) 0.0518(7) Uani d . . . 1.0 . .
H H18A 0.2091 0.0311 1.023 0.078 Uiso calc U . R 1.0 . .
H H18B 0.1515 0.2022 1.0161 0.078 Uiso calc U . R 1.0 . .
H H18C 0.3523 0.1086 0.9927 0.078 Uiso calc U . R 1.0 . .
C C19 0.4037(4) -0.0191(3) 0.7562(3) 0.0587(8) Uani d . . . 1.0 . .
H H19A 0.3829 -0.1078 0.7991 0.088 Uiso calc U . R 1.0 . .
H H19B 0.5178 -0.0217 0.7637 0.088 Uiso calc U . R 1.0 . .
H H19C 0.3997 -0.0109 0.6719 0.088 Uiso calc U . R 1.0 . .
C C20 0.0168(4) 0.1436(3) 0.8086(3) 0.0450(6) Uani d . . . 1.0 . .
H H20A 0.0002 0.1764 0.7259 0.068 Uiso calc U . R 1.0 . .
H H20B -0.0722 0.2101 0.8601 0.068 Uiso calc U . R 1.0 . .
H H20C 0.0078 0.0469 0.8335 0.068 Uiso calc U . R 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cl1 C9 . 1.748(2) ?
N1 C12 . 1.366(3) ?
N1 C1 . 1.371(3) ?
N1 C5 . 1.371(3) ?
Si1 C20 . 1.861(3) ?
Si1 C18 . 1.862(3) ?
Si1 C19 . 1.864(3) ?
Si1 C13 . 1.877(2) ?
C1 C2 . 1.404(3) ?
C1 C14 . 1.425(3) ?
C2 C3 . 1.383(3) ?
C2 H2 . 0.95 ?
C3 C4 . 1.413(3) ?
C3 H3 . 0.95 ?
C4 C5 . 1.372(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.445(3) ?
C6 C7 . 1.398(3) ?
C6 C11 . 1.437(3) ?
C7 C8 . 1.380(3) ?
C7 H7 . 0.95 ?
C8 C9 . 1.401(4) ?
C8 H8 . 0.95 ?
C9 C10 . 1.379(3) ?
C10 C11 . 1.401(3) ?
C10 H10 . 0.95 ?
C11 C12 . 1.445(3) ?
C12 C13 . 1.423(3) ?
C13 C14 . 1.419(3) ?
C14 C15 . 1.483(3) ?
C15 C16A . 1.278(19) ?
C15 C16 . 1.295(10) ?
C15 C17 . 1.534(9) ?
C15 C17A . 1.553(17) ?
C16 H16A . 0.95 ?
C16 H16B . 0.95 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C16A H16C . 0.95 ?
C16A H16D . 0.95 ?
C17A H17D . 0.98 ?
C17A H17E . 0.98 ?
C17A H17F . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C12 N1 C1 . . 113.56(19) ?
C12 N1 C5 . . 116.59(18) ?
C1 N1 C5 . . 129.78(19) ?
C20 Si1 C18 . . 106.85(13) ?
C20 Si1 C19 . . 109.89(14) ?
C18 Si1 C19 . . 108.99(15) ?
C20 Si1 C13 . . 107.19(11) ?
C18 Si1 C13 . . 114.65(11) ?
C19 Si1 C13 . . 109.18(13) ?
N1 C1 C2 . . 114.0(2) ?
N1 C1 C14 . . 104.66(18) ?
C2 C1 C14 . . 141.3(2) ?
C3 C2 C1 . . 119.1(2) ?
C3 C2 H2 . . 120.4 ?
C1 C2 H2 . . 120.4 ?
C2 C3 C4 . . 123.2(2) ?
C2 C3 H3 . . 118.4 ?
C4 C3 H3 . . 118.4 ?
C5 C4 C3 . . 118.7(2) ?
C5 C4 H4 . . 120.7 ?
C3 C4 H4 . . 120.7 ?
N1 C5 C4 . . 115.3(2) ?
N1 C5 C6 . . 103.31(18) ?
C4 C5 C6 . . 141.4(2) ?
C7 C6 C11 . . 120.6(2) ?
C7 C6 C5 . . 130.8(2) ?
C11 C6 C5 . . 108.54(19) ?
C8 C7 C6 . . 119.3(2) ?
C8 C7 H7 . . 120.3 ?
C6 C7 H7 . . 120.3 ?
C7 C8 C9 . . 119.5(2) ?
C7 C8 H8 . . 120.2 ?
C9 C8 H8 . . 120.2 ?
C10 C9 C8 . . 123.1(2) ?
C10 C9 Cl1 . . 119.05(19) ?
C8 C9 Cl1 . . 117.85(18) ?
C9 C10 C11 . . 118.2(2) ?
C9 C10 H10 . . 120.9 ?
C11 C10 H10 . . 120.9 ?
C10 C11 C6 . . 119.2(2) ?
C10 C11 C12 . . 133.4(2) ?
C6 C11 C12 . . 107.42(19) ?
N1 C12 C13 . . 106.18(18) ?
N1 C12 C11 . . 104.13(18) ?
C13 C12 C11 . . 149.7(2) ?
C14 C13 C12 . . 106.73(19) ?
C14 C13 Si1 . . 130.89(17) ?
C12 C13 Si1 . . 122.22(16) ?
C13 C14 C1 . . 108.9(2) ?
C13 C14 C15 . . 128.5(2) ?
C1 C14 C15 . . 122.6(2) ?
C16A C15 C14 . . 126.4(16) ?
C16 C15 C14 . . 124.0(5) ?
C16 C15 C17 . . 121.6(6) ?
C14 C15 C17 . . 114.4(4) ?
C16A C15 C17A . . 121.4(17) ?
C14 C15 C17A . . 111.9(11) ?
C15 C16 H16A . . 120.0 ?
C15 C16 H16B . . 120.0 ?
H16A C16 H16B . . 120.0 ?
C15 C17 H17A . . 109.5 ?
C15 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C15 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C15 C16A H16C . . 120.0 ?
C15 C16A H16D . . 120.0 ?
H16C C16A H16D . . 120.0 ?
C15 C17A H17D . . 109.5 ?
C15 C17A H17E . . 109.5 ?
H17D C17A H17E . . 109.5 ?
C15 C17A H17F . . 109.5 ?
H17D C17A H17F . . 109.5 ?
H17E C17A H17F . . 109.5 ?
Si1 C18 H18A . . 109.5 ?
Si1 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
Si1 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
Si1 C19 H19A . . 109.5 ?
Si1 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
Si1 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
Si1 C20 H20A . . 109.5 ?
Si1 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
Si1 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C12 N1 C1 C2 . . . . 177.0(2) ?
C5 N1 C1 C2 . . . . 0.1(3) ?
C12 N1 C1 C14 . . . . -0.2(3) ?
C5 N1 C1 C14 . . . . -177.1(2) ?
N1 C1 C2 C3 . . . . 0.2(3) ?
C14 C1 C2 C3 . . . . 175.8(3) ?
C1 C2 C3 C4 . . . . -0.2(4) ?
C2 C3 C4 C5 . . . . -0.2(4) ?
C12 N1 C5 C4 . . . . -177.3(2) ?
C1 N1 C5 C4 . . . . -0.5(3) ?
C12 N1 C5 C6 . . . . 1.2(3) ?
C1 N1 C5 C6 . . . . 178.0(2) ?
C3 C4 C5 N1 . . . . 0.4(3) ?
C3 C4 C5 C6 . . . . -177.2(3) ?
N1 C5 C6 C7 . . . . 179.5(2) ?
C4 C5 C6 C7 . . . . -2.7(5) ?
N1 C5 C6 C11 . . . . -0.9(2) ?
C4 C5 C6 C11 . . . . 176.9(3) ?
C11 C6 C7 C8 . . . . 0.2(4) ?
C5 C6 C7 C8 . . . . 179.8(2) ?
C6 C7 C8 C9 . . . . 0.0(4) ?
C7 C8 C9 C10 . . . . -0.6(4) ?
C7 C8 C9 Cl1 . . . . -179.77(19) ?
C8 C9 C10 C11 . . . . 1.0(4) ?
Cl1 C9 C10 C11 . . . . -179.85(17) ?
C9 C10 C11 C6 . . . . -0.8(3) ?
C9 C10 C11 C12 . . . . 179.5(2) ?
C7 C6 C11 C10 . . . . 0.2(3) ?
C5 C6 C11 C10 . . . . -179.5(2) ?
C7 C6 C11 C12 . . . . -180.0(2) ?
C5 C6 C11 C12 . . . . 0.4(3) ?
C1 N1 C12 C13 . . . . 0.2(3) ?
C5 N1 C12 C13 . . . . 177.49(19) ?
C1 N1 C12 C11 . . . . -178.35(18) ?
C5 N1 C12 C11 . . . . -1.0(3) ?
C10 C11 C12 N1 . . . . -179.9(2) ?
C6 C11 C12 N1 . . . . 0.3(2) ?
C10 C11 C12 C13 . . . . 3.0(6) ?
C6 C11 C12 C13 . . . . -176.8(4) ?
N1 C12 C13 C14 . . . . -0.1(2) ?
C11 C12 C13 C14 . . . . 177.0(4) ?
N1 C12 C13 Si1 . . . . 175.76(16) ?
C11 C12 C13 Si1 . . . . -7.1(5) ?
C20 Si1 C13 C14 . . . . 122.7(2) ?
C18 Si1 C13 C14 . . . . 4.3(3) ?
C19 Si1 C13 C14 . . . . -118.3(2) ?
C20 Si1 C13 C12 . . . . -52.0(2) ?
C18 Si1 C13 C12 . . . . -170.5(2) ?
C19 Si1 C13 C12 . . . . 66.9(2) ?
C12 C13 C14 C1 . . . . 0.0(3) ?
Si1 C13 C14 C1 . . . . -175.36(18) ?
C12 C13 C14 C15 . . . . -177.5(2) ?
Si1 C13 C14 C15 . . . . 7.2(4) ?
N1 C1 C14 C13 . . . . 0.1(3) ?
C2 C1 C14 C13 . . . . -175.8(3) ?
N1 C1 C14 C15 . . . . 177.7(2) ?
C2 C1 C14 C15 . . . . 1.9(5) ?
C13 C14 C15 C16A . . . . -128.(2) ?
C1 C14 C15 C16A . . . . 55.(2) ?
C13 C14 C15 C16 . . . . 59.7(7) ?
C1 C14 C15 C16 . . . . -117.4(6) ?
C13 C14 C15 C17 . . . . -121.7(6) ?
C1 C14 C15 C17 . . . . 61.2(6) ?
C13 C14 C15 C17A . . . . 58.5(12) ?
C1 C14 C15 C17A . . . . -118.6(12) ?

