# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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. 
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data_cd214446
_database_code_depnum_ccdc_archive 'CCDC 1024592'
_audit_update_record             
;
2014-09-16 deposited with the CCDC.
2016-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H21 Br N2 O2 Si'
_chemical_formula_weight         405.37

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'
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'
Br Br -0.2901 2.4595 '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                   6.623(2)
_cell_length_b                   8.437(3)
_cell_length_c                   17.920(6)
_cell_angle_alpha                88.636(7)
_cell_angle_beta                 88.061(7)
_cell_angle_gamma                85.928(7)
_cell_volume                     998.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1933
_cell_measurement_theta_min      4.550
_cell_measurement_theta_max      47.286

_exptl_crystal_description       prismatic
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_F_000             416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.056
_exptl_absorpt_coefficient_mu    2.131
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5069
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5804
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.275
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3696
_reflns_number_gt                2750
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0979P)²+5.8022P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3696
_refine_ls_number_parameters     303
_refine_ls_number_restraints     103
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0881
_refine_ls_wR_factor_ref         0.2704
_refine_ls_wR_factor_gt          0.2618
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.003
_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
Br1 Br 0.06881(14) 0.07431(13) 0.37271(6) 0.0790(5) Uani 1 1 d . . . . .
N1 N 0.7902(10) 0.3898(8) 0.4752(4) 0.0537(16) Uani 1 1 d . . . . .
H1 H 0.8836 0.4362 0.4505 0.064 Uiso 1 1 calc R U . . .
O1 O 0.9057(8) 0.4226(8) 0.5921(3) 0.0653(16) Uani 1 1 d . . . . .
C1 C 0.6312(11) 0.3236(9) 0.4430(5) 0.0506(18) Uani 1 1 d . . . . .
C2 C 0.5907(13) 0.3185(11) 0.3682(5) 0.059(2) Uani 1 1 d . . . . .
H2 H 0.6770 0.3616 0.3324 0.071 Uiso 1 1 calc R U . . .
C3 C 0.4169(14) 0.2472(11) 0.3469(5) 0.065(2) Uani 1 1 d . . . . .
H3 H 0.3832 0.2447 0.2970 0.079 Uiso 1 1 calc R U . . .
C4 C 0.2974(12) 0.1810(10) 0.4022(5) 0.059(2) Uani 1 1 d . . . . .
C5 C 0.3381(12) 0.1841(10) 0.4764(5) 0.0549(19) Uani 1 1 d . . . . .
H5 H 0.2541 0.1370 0.5118 0.066 Uiso 1 1 calc R U . . .
C6 C 0.5070(11) 0.2586(9) 0.4983(5) 0.0508(18) Uani 1 1 d . . . . .
C7 C 0.5925(11) 0.2886(10) 0.5703(5) 0.0528(19) Uani 1 1 d . . . . .
C8 C 0.7814(11) 0.3729(9) 0.5506(5) 0.0520(18) Uani 1 1 d . . . . .
C9 C 0.5244(11) 0.2573(10) 0.6402(5) 0.0540(19) Uani 1 1 d . . . . .
C10 C 0.3325(14) 0.1743(13) 0.6546(6) 0.074(3) Uani 1 1 d . . . . .
H10A H 0.2258 0.2262 0.6261 0.111 Uiso 1 1 calc R U . . .
H10B H 0.2954 0.1782 0.7068 0.111 Uiso 1 1 calc R U . . .
H10C H 0.3540 0.0655 0.6400 0.111 Uiso 1 1 calc R U . . .
C11 C 0.6328(14) 0.3083(12) 0.7036(5) 0.067(2) Uani 1 1 d . . . . .
H11 H 0.7535 0.3561 0.6939 0.081 Uiso 1 1 calc R U . . .
C12 C 0.5705(17) 0.2910(15) 0.7748(6) 0.088(2) Uani 1 1 d D U . . .
H12 H 0.4695 0.2165 0.7846 0.106 Uiso 0.5 1 d R U P A 1
H12' H 0.4305 0.2725 0.7846 0.106 Uiso 0.5 1 d R U P B 2
Si1 Si 0.8029(11) 0.0861(8) 0.8940(4) 0.0848(15) Uani 0.5 1 d D U P C 1
O2 O 0.696(3) 0.270(2) 0.8974(12) 0.0854(19) Uani 0.5 1 d . U P C 1
N2 N 0.989(3) 0.521(3) 0.8033(12) 0.101(4) Uani 0.5 1 d . U P C 1
C13 C 0.651(4) 0.378(3) 0.8418(13) 0.086(2) Uani 0.5 1 d D U P C 1
C14 C 0.515(4) 0.521(3) 0.8723(13) 0.090(4) Uani 0.5 1 d D U P C 1
H14A H 0.3890 0.4848 0.8915 0.135 Uiso 0.5 1 calc R U P C 1
H14B H 0.4898 0.5978 0.8327 0.135 Uiso 0.5 1 calc R U P C 1
H14C H 0.5830 0.5689 0.9115 0.135 Uiso 0.5 1 calc R U P C 1
C15 C 1.020(4) 0.093(4) 0.8278(15) 0.097(5) Uani 0.5 1 d D U P C 1
H15A H 0.9721 0.1007 0.7777 0.145 Uiso 0.5 1 calc R U P C 1
H15B H 1.1069 -0.0021 0.8335 0.145 Uiso 0.5 1 calc R U P C 1
H15C H 1.0934 0.1838 0.8375 0.145 Uiso 0.5 1 calc R U P C 1
C16 C 0.630(3) -0.047(3) 0.8542(13) 0.113(5) Uani 0.6 1 d D U P C 1
H16A H 0.4973 -0.0283 0.8768 0.170 Uiso 0.6 1 d R U P C 1
H16B H 0.6783 -0.1557 0.8638 0.170 Uiso 0.6 1 d R U P C 1
H16C H 0.6240 -0.0282 0.8013 0.170 Uiso 0.6 1 d R U P C 1
C17 C 0.837(4) 0.029(3) 0.9926(9) 0.114(5) Uani 0.6 1 d D U P C 1
H17A H 0.9182 0.1034 1.0154 0.172 Uiso 0.6 1 d R U P C 1
H17B H 0.9038 -0.0755 0.9959 0.172 Uiso 0.6 1 d R U P C 1
H17C H 0.7073 0.0296 1.0182 0.172 Uiso 0.6 1 d R U P C 1
C18 C 0.846(4) 0.456(3) 0.8184(13) 0.084(3) Uani 0.5 1 d . U P C 1
Si1' Si 0.8741(11) 0.5740(8) 0.8771(4) 0.0912(17) Uani 0.5 1 d D U P C 2
O2' O 0.710(3) 0.456(2) 0.8464(10) 0.093(2) Uani 0.5 1 d . U P C 2
N2' N 1.073(4) 0.141(6) 0.838(2) 0.158(17) Uani 0.5 1 d . . P C 2
C13' C 0.709(4) 0.297(4) 0.8416(11) 0.099(6) Uani 0.5 1 d D U P C 2
C14' C 0.607(4) 0.233(4) 0.9125(12) 0.101(7) Uani 0.5 1 d D U P C 2
H14D H 0.6746 0.2671 0.9553 0.152 Uiso 0.5 1 calc R U P C 2
H14E H 0.6162 0.1188 0.9118 0.152 Uiso 0.5 1 calc R U P C 2
H14F H 0.4678 0.2719 0.9150 0.152 Uiso 0.5 1 calc R U P C 2
C15' C 0.994(4) 0.500(3) 0.9646(10) 0.112(9) Uani 0.5 1 d D . P C 2
C16' C 1.070(4) 0.629(5) 0.8094(17) 0.139(15) Uani 0.4 1 d D . P C 2
H16D H 1.0825 0.5545 0.7697 0.209 Uiso 0.4 1 d R U P C 2
H16E H 1.1965 0.6295 0.8339 0.209 Uiso 0.4 1 d R U P C 2
H16F H 1.0341 0.7335 0.7893 0.209 Uiso 0.4 1 d R U P C 2
C17' C 0.693(5) 0.742(4) 0.898(2) 0.146(15) Uani 0.4 1 d D U P C 2
H17D H 0.5748 0.7330 0.8690 0.219 Uiso 0.4 1 d R U P C 2
H17E H 0.7529 0.8396 0.8841 0.219 Uiso 0.4 1 d R U P C 2
H17F H 0.6564 0.7415 0.9498 0.219 Uiso 0.4 1 d R U P C 2
C18' C 0.907(4) 0.214(3) 0.8375(12) 0.084(2) Uani 0.5 1 d . U P C 2


_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
Br1 C4 1.911(8) . ?
N1 C8 1.356(11) . ?
N1 C1 1.376(10) . ?
N1 H1 0.8600 . ?
O1 C8 1.230(10) . ?
C1 C2 1.378(12) . ?
C1 C6 1.394(11) . ?
C2 C3 1.404(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(12) . ?
C5 C6 1.393(11) . ?
C5 H5 0.9300 . ?
C6 C7 1.463(11) . ?
C7 C9 1.344(11) . ?
C7 C8 1.510(11) . ?
C9 C11 1.453(12) . ?
C9 C10 1.506(11) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.335(14) . ?
C11 H11 0.9300 . ?
C12 C13' 1.537(17) . ?
C12 C13 1.548(17) . ?
C12 H12 0.9601 . ?
C12 H12' 0.9616 . ?
Si1 O2 1.66(2) . ?
Si1 C15 1.834(18) . ?
Si1 C16 1.834(16) . ?
Si1 C17 1.838(15) . ?
O2 C13 1.36(3) . ?
N2 C18 1.15(3) . ?
C13 C18 1.53(3) . ?
C13 C14 1.552(18) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
Si1' O2' 1.64(2) . ?
Si1' C16' 1.823(17) . ?
Si1' C17' 1.825(16) . ?
Si1' C15' 1.855(14) . ?
O2' C13' 1.35(3) . ?
N2' C18' 1.22(4) . ?
C13' C18' 1.45(4) . ?
C13' C14' 1.524(19) . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?
C15' C15' 1.28(4) 2_767 ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 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
C8 N1 C1 111.7(6) . . ?
C8 N1 H1 124.2 . . ?
C1 N1 H1 124.2 . . ?
N1 C1 C2 127.9(7) . . ?
N1 C1 C6 109.8(7) . . ?
C2 C1 C6 122.3(7) . . ?
C1 C2 C3 118.9(8) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.1(8) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C5 C4 C3 123.2(8) . . ?
C5 C4 Br1 118.7(7) . . ?
C3 C4 Br1 118.0(7) . . ?
C4 C5 C6 119.1(8) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C5 C6 C1 118.3(8) . . ?
C5 C6 C7 134.3(8) . . ?
C1 C6 C7 107.4(7) . . ?
C9 C7 C6 130.6(7) . . ?
C9 C7 C8 124.9(7) . . ?
C6 C7 C8 104.5(7) . . ?
O1 C8 N1 124.1(7) . . ?
O1 C8 C7 129.2(8) . . ?
N1 C8 C7 106.6(7) . . ?
C7 C9 C11 120.0(7) . . ?
C7 C9 C10 121.2(8) . . ?
C11 C9 C10 118.8(8) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C9 124.3(9) . . ?
C12 C11 H11 117.8 . . ?
C9 C11 H11 117.8 . . ?
C11 C12 C13' 124.1(13) . . ?
C11 C12 C13 125.6(14) . . ?
C11 C12 H12 116.2 . . ?
C13 C12 H12 118.1 . . ?
C11 C12 H12' 117.7 . . ?
C13' C12 H12' 118.2 . . ?
O2 Si1 C15 106.4(13) . . ?
O2 Si1 C16 110.4(11) . . ?
C15 Si1 C16 106.2(13) . . ?
O2 Si1 C17 103.8(11) . . ?
C15 Si1 C17 121.3(14) . . ?
C16 Si1 C17 108.5(12) . . ?
C13 O2 Si1 130.6(18) . . ?
O2 C13 C18 107.7(19) . . ?
O2 C13 C12 109.2(18) . . ?
C18 C13 C12 110.0(17) . . ?
O2 C13 C14 111(2) . . ?
C18 C13 C14 102(2) . . ?
C12 C13 C14 116.8(18) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.4 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.4 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C13 176(3) . . ?
O2' Si1' C16' 115.5(16) . . ?
O2' Si1' C17' 96.8(16) . . ?
C16' Si1' C17' 111.4(12) . . ?
O2' Si1' C15' 113.6(11) . . ?
C16' Si1' C15' 109.4(11) . . ?
C17' Si1' C15' 109.5(11) . . ?
C13' O2' Si1' 133.4(16) . . ?
O2' C13' C18' 115(2) . . ?
O2' C13' C14' 109(2) . . ?
C18' C13' C14' 105(2) . . ?
O2' C13' C12 98.6(18) . . ?
C18' C13' C12 119(2) . . ?
C14' C13' C12 111.0(17) . . ?
C13' C14' H14D 109.5 . . ?
C13' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C15' C15' Si1' 151(3) 2_767 . ?
Si1' C16' H16D 110.0 . . ?
Si1' C16' H16E 109.1 . . ?
H16D C16' H16E 109.5 . . ?
Si1' C16' H16F 109.3 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
Si1' C17' H17D 108.8 . . ?
Si1' C17' H17E 109.7 . . ?
H17D C17' H17E 109.5 . . ?
Si1' C17' H17F 109.9 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
N2' C18' C13' 176(3) . . ?

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
C8 N1 C1 C2 179.9(8) . . . . ?
C8 N1 C1 C6 0.2(9) . . . . ?
N1 C1 C2 C3 -178.8(8) . . . . ?
C6 C1 C2 C3 0.8(13) . . . . ?
C1 C2 C3 C4 -1.9(13) . . . . ?
C2 C3 C4 C5 1.2(13) . . . . ?
C2 C3 C4 Br1 -176.8(6) . . . . ?
C3 C4 C5 C6 0.6(13) . . . . ?
Br1 C4 C5 C6 178.6(6) . . . . ?
C4 C5 C6 C1 -1.7(11) . . . . ?
C4 C5 C6 C7 177.9(8) . . . . ?
N1 C1 C6 C5 -179.3(7) . . . . ?
C2 C1 C6 C5 1.0(12) . . . . ?
N1 C1 C6 C7 1.0(9) . . . . ?
C2 C1 C6 C7 -178.7(8) . . . . ?
C5 C6 C7 C9 -3.5(15) . . . . ?
C1 C6 C7 C9 176.2(9) . . . . ?
C5 C6 C7 C8 178.7(8) . . . . ?
C1 C6 C7 C8 -1.6(8) . . . . ?
C1 N1 C8 O1 -179.7(8) . . . . ?
C1 N1 C8 C7 -1.2(9) . . . . ?
C9 C7 C8 O1 2.1(14) . . . . ?
C6 C7 C8 O1 -179.9(8) . . . . ?
C9 C7 C8 N1 -176.3(8) . . . . ?
C6 C7 C8 N1 1.7(8) . . . . ?
C6 C7 C9 C11 -176.3(8) . . . . ?
C8 C7 C9 C11 1.2(13) . . . . ?
C6 C7 C9 C10 1.8(14) . . . . ?
C8 C7 C9 C10 179.2(8) . . . . ?
C7 C9 C11 C12 175.9(10) . . . . ?
C10 C9 C11 C12 -2.2(16) . . . . ?
C9 C11 C12 C13' 160.9(17) . . . . ?
C9 C11 C12 C13 -164.3(15) . . . . ?
C15 Si1 O2 C13 45(2) . . . . ?
C16 Si1 O2 C13 -70(2) . . . . ?
C17 Si1 O2 C13 174(2) . . . . ?
Si1 O2 C13 C18 -80(2) . . . . ?
Si1 O2 C13 C12 39(3) . . . . ?
Si1 O2 C13 C14 169.3(15) . . . . ?
C11 C12 C13 O2 -131.5(19) . . . . ?
C13' C12 C13 O2 -34(2) . . . . ?
C11 C12 C13 C18 -13(3) . . . . ?
C13' C12 C13 C18 84(3) . . . . ?
C11 C12 C13 C14 102(2) . . . . ?
C13' C12 C13 C14 -161(5) . . . . ?
C16' Si1' O2' C13' 86(2) . . . . ?
C17' Si1' O2' C13' -156(2) . . . . ?
C15' Si1' O2' C13' -41(3) . . . . ?
Si1' O2' C13' C18' -25(3) . . . . ?
Si1' O2' C13' C14' 92(3) . . . . ?
Si1' O2' C13' C12 -152.5(17) . . . . ?
C11 C12 C13' O2' 81(2) . . . . ?
C13 C12 C13' O2' -22(3) . . . . ?
C11 C12 C13' C18' -44(3) . . . . ?
C13 C12 C13' C18' -147(5) . . . . ?
C11 C12 C13' C14' -165.6(19) . . . . ?
C13 C12 C13' C14' 91(4) . . . . ?
O2' Si1' C15' C15' -99(7) . . . 2_767 ?
C16' Si1' C15' C15' 131(7) . . . 2_767 ?
C17' Si1' C15' C15' 8(7) . . . 2_767 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O1 0.86 2.02 2.866(8) 168.9 2_766
N1 H1 O1 0.86 2.02 2.866(8) 168.9 2_766

_refine_diff_density_max         0.525
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-4

