# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Rik Tykwinski'
_publ_contact_author_email       RIK.TYKWINSKI@UALBERTA.CA

_publ_section_title              
;
Synthesis of tri- and tetraynes using a butadiynyl
synthon
;
loop_
_publ_author_name
'Rik Tykwinski'
'Khalid Azyat'
'Eike Jahnke'
'Trent Rankin'

# Attachment 'Azyat.SI2.CIF'

data_compound(3d)
_database_code_depnum_ccdc_archive 'CCDC 700679'

_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H25 N O2 Si'
_chemical_formula_sum            'C21 H25 N O2 Si'
_chemical_formula_weight         351.51

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.1591(16)
_cell_length_b                   7.3496(6)
_cell_length_c                   14.2110(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.9480(10)
_cell_angle_gamma                90.00
_cell_volume                     2003.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    5913
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      27.50

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_absorpt_coefficient_mu    0.130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9319
_exptl_absorpt_correction_T_max  0.9669
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 8.192
_diffrn_reflns_number            16620
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_av_sigmaI/netI    0.0134
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4599
_reflns_number_gt                4074
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.4664P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4599
_refine_ls_number_parameters     262
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.1169
_refine_ls_wR_factor_gt          0.1121
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.038
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si 0.169134(15) 0.37660(5) 0.42213(2) 0.03051(11) Uani 1 1 d . . .
O1 O 0.60254(6) -0.49101(15) 1.30568(7) 0.0502(3) Uani 1 1 d . . .
O2 O 0.68523(5) -0.49977(16) 1.23905(8) 0.0552(3) Uani 1 1 d . . .
N N 0.62602(6) -0.46121(14) 1.23729(8) 0.0368(2) Uani 1 1 d . A .
C1 C 0.23273(6) 0.24157(17) 0.51915(9) 0.0333(2) Uani 1 1 d . A .
C2 C 0.27375(6) 0.15691(16) 0.58523(9) 0.0320(2) Uani 1 1 d . . .
C3 C 0.31952(6) 0.06458(17) 0.66182(9) 0.0331(2) Uani 1 1 d . A .
C4 C 0.35985(6) -0.01237(16) 0.73139(9) 0.0336(3) Uani 1 1 d . . .
C5 C 0.40540(6) -0.09193(16) 0.81314(9) 0.0333(3) Uani 1 1 d . A .
C6 C 0.44577(6) -0.15434(16) 0.88683(9) 0.0341(3) Uani 1 1 d . . .
C7 C 0.49232(6) -0.22732(15) 0.97640(8) 0.0309(2) Uani 1 1 d . A .
C8 C 0.46784(6) -0.26419(18) 1.05642(9) 0.0363(3) Uani 1 1 d . . .
H8 H 0.4207 -0.2382 1.0516 0.044 Uiso 1 1 calc R A .
C9 C 0.51176(6) -0.33823(18) 1.14249(9) 0.0358(3) Uani 1 1 d . A .
H9 H 0.4954 -0.3632 1.1971 0.043 Uiso 1 1 calc R . .
C10 C 0.57996(6) -0.37511(15) 1.14734(8) 0.0297(2) Uani 1 1 d . . .
C11 C 0.60647(6) -0.33617(17) 1.07069(9) 0.0337(3) Uani 1 1 d . A .
H11 H 0.6539 -0.3603 1.0768 0.040 Uiso 1 1 calc R . .
C12 C 0.56231(6) -0.26126(17) 0.98500(9) 0.0347(3) Uani 1 1 d . . .
H12 H 0.5795 -0.2326 0.9316 0.042 Uiso 1 1 calc R A .
C13A C 0.08197(7) 0.3366(2) 0.44085(11) 0.0432(3) Uani 0.90 1 d PD A 1
H13A H 0.0880 0.3703 0.5112 0.052 Uiso 0.90 1 calc PR A 1
C14A C 0.02513(9) 0.4626(4) 0.37800(18) 0.0809(8) Uani 0.90 1 d PD A 1
H14A H -0.0190 0.4362 0.3906 0.097 Uiso 0.90 1 calc PR A 1
H14B H 0.0197 0.4428 0.3078 0.097 Uiso 0.90 1 calc PR A 1
H14C H 0.0383 0.5895 0.3953 0.097 Uiso 0.90 1 calc PR A 1
C15A C 0.05794(11) 0.1375(3) 0.43020(17) 0.0693(6) Uani 0.90 1 d PD A 1
H15A H 0.0123 0.1283 0.4410 0.083 Uiso 0.90 1 calc PR A 1
H15B H 0.0919 0.0629 0.4792 0.083 Uiso 0.90 1 calc PR A 1
H15C H 0.0543 0.0941 0.3636 0.083 Uiso 0.90 1 calc PR A 1
C16A C 0.17827(8) 0.3054(3) 0.30026(11) 0.0482(4) Uani 0.90 1 d PD A 1
H16A H 0.2283 0.3250 0.3052 0.058 Uiso 0.90 1 calc PR A 1
C17A C 0.16331(15) 0.1049(4) 0.2757(2) 0.0711(7) Uani 0.90 1 d PD A 1
H17A H 0.1693 0.0785 0.2112 0.085 Uiso 0.90 1 calc PR A 1
H17B H 0.1153 0.0770 0.2734 0.085 Uiso 0.90 1 calc PR A 1
H17C H 0.1957 0.0301 0.3266 0.085 Uiso 0.90 1 calc PR A 1
C18A C 0.13553(14) 0.4256(5) 0.21474(15) 0.0962(10) Uani 0.90 1 d PD A 1
H18A H 0.1420 0.3837 0.1527 0.115 Uiso 0.90 1 calc PR A 1
H18B H 0.1512 0.5521 0.2270 0.115 Uiso 0.90 1 calc PR A 1
H18C H 0.0860 0.4178 0.2098 0.115 Uiso 0.90 1 calc PR A 1
C19A C 0.19474(8) 0.6230(2) 0.44773(12) 0.0432(3) Uani 0.90 1 d PD A 1
H19A H 0.1618 0.6967 0.3943 0.052 Uiso 0.90 1 calc PR A 1
C20A C 0.26843(10) 0.6590(3) 0.4426(2) 0.0677(6) Uani 0.90 1 d PD A 1
H20A H 0.2800 0.7879 0.4561 0.081 Uiso 0.90 1 calc PR A 1
H20B H 0.2705 0.6282 0.3765 0.081 Uiso 0.90 1 calc PR A 1
H20C H 0.3019 0.5841 0.4920 0.081 Uiso 0.90 1 calc PR A 1
C21A C 0.18735(12) 0.6888(3) 0.54678(14) 0.0605(5) Uani 0.90 1 d PD A 1
H21A H 0.2012 0.8170 0.5569 0.073 Uiso 0.90 1 calc PR A 1
H21B H 0.2174 0.6156 0.6008 0.073 Uiso 0.90 1 calc PR A 1
H21C H 0.1387 0.6759 0.5457 0.073 Uiso 0.90 1 calc PR A 1
C13B C 0.2186(5) 0.4913(12) 0.3506(7) 0.039(3) Uiso 0.10 1 d PD A 2
H13B H 0.2418 0.3919 0.3243 0.046 Uiso 0.10 1 calc PR A 2
C14B C 0.1744(7) 0.595(2) 0.2597(9) 0.056(4) Uiso 0.10 1 d PD A 2
H14D H 0.2050 0.6568 0.2280 0.068 Uiso 0.10 1 calc PR A 2
H14E H 0.1458 0.6859 0.2801 0.068 Uiso 0.10 1 calc PR A 2
H14F H 0.1440 0.5100 0.2129 0.068 Uiso 0.10 1 calc PR A 2
C15B C 0.2781(8) 0.610(2) 0.4147(12) 0.058(6) Uiso 0.10 1 d PD A 2
H15D H 0.3008 0.6734 0.3723 0.070 Uiso 0.10 1 calc PR A 2
H15E H 0.3122 0.5326 0.4618 0.070 Uiso 0.10 1 calc PR A 2
H15F H 0.2592 0.6991 0.4509 0.070 Uiso 0.10 1 calc PR A 2
C16B C 0.1132(5) 0.5094(11) 0.4781(7) 0.035(2) Uiso 0.10 1 d PD A 2
H16B H 0.0946 0.4214 0.5174 0.042 Uiso 0.10 1 calc PR A 2
C17B C 0.1526(8) 0.6542(19) 0.5505(11) 0.055(4) Uiso 0.10 1 d PD A 2
H17D H 0.1201 0.7193 0.5776 0.066 Uiso 0.10 1 calc PR A 2
H17E H 0.1742 0.7404 0.5161 0.066 Uiso 0.10 1 calc PR A 2
H17F H 0.1889 0.5962 0.6046 0.066 Uiso 0.10 1 calc PR A 2
C18B C 0.0496(7) 0.593(2) 0.4010(10) 0.057(4) Uiso 0.10 1 d PD A 2
H18D H 0.0228 0.6654 0.4346 0.069 Uiso 0.10 1 calc PR A 2
H18E H 0.0200 0.4956 0.3630 0.069 Uiso 0.10 1 calc PR A 2
H18F H 0.0652 0.6714 0.3562 0.069 Uiso 0.10 1 calc PR A 2
C19B C 0.1115(6) 0.1865(10) 0.3390(8) 0.039(3) Uiso 0.10 1 d PD A 2
H19B H 0.0757 0.2460 0.2825 0.047 Uiso 0.10 1 calc PR A 2
C20B C 0.0739(8) 0.074(2) 0.3981(12) 0.053(4) Uiso 0.10 1 d PD A 2
H20D H 0.0451 -0.0191 0.3552 0.063 Uiso 0.10 1 calc PR A 2
H20E H 0.0441 0.1543 0.4228 0.063 Uiso 0.10 1 calc PR A 2
H20F H 0.1084 0.0156 0.4540 0.063 Uiso 0.10 1 calc PR A 2
C21B C 0.1574(12) 0.063(2) 0.2972(18) 0.046(5) Uiso 0.10 1 d PD A 2
H21D H 0.1285 -0.0317 0.2558 0.055 Uiso 0.10 1 calc PR A 2
H21E H 0.1936 0.0066 0.3519 0.055 Uiso 0.10 1 calc PR A 2
H21F H 0.1793 0.1363 0.2573 0.055 Uiso 0.10 1 calc PR A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Si 0.02486(17) 0.03669(19) 0.02791(18) 0.00538(12) 0.00509(12) 0.00244(12)
O1 0.0623(6) 0.0542(6) 0.0312(5) 0.0087(4) 0.0100(4) 0.0024(5)
O2 0.0376(5) 0.0697(7) 0.0491(6) 0.0122(5) -0.0003(4) 0.0132(5)
N 0.0404(6) 0.0331(5) 0.0303(5) 0.0004(4) 0.0012(4) -0.0006(4)
C1 0.0294(5) 0.0350(6) 0.0327(6) 0.0009(5) 0.0054(4) -0.0003(5)
C2 0.0303(5) 0.0328(6) 0.0305(6) -0.0004(4) 0.0057(4) -0.0016(4)
C3 0.0319(6) 0.0333(6) 0.0312(6) -0.0004(5) 0.0054(5) 0.0001(5)
C4 0.0322(6) 0.0335(6) 0.0318(6) -0.0006(5) 0.0049(5) 0.0010(5)
C5 0.0339(6) 0.0315(6) 0.0314(6) -0.0016(4) 0.0051(5) 0.0016(5)
C6 0.0350(6) 0.0302(6) 0.0328(6) -0.0030(5) 0.0040(5) 0.0009(5)
C7 0.0331(6) 0.0261(5) 0.0281(5) -0.0025(4) 0.0014(4) 0.0009(4)
C8 0.0271(5) 0.0412(6) 0.0379(6) -0.0002(5) 0.0061(5) 0.0019(5)
C9 0.0344(6) 0.0422(6) 0.0306(6) 0.0017(5) 0.0098(5) -0.0017(5)
C10 0.0310(5) 0.0273(5) 0.0264(5) -0.0008(4) 0.0021(4) -0.0005(4)
C11 0.0292(5) 0.0384(6) 0.0318(6) -0.0004(5) 0.0069(5) 0.0035(5)
C12 0.0370(6) 0.0384(6) 0.0286(5) 0.0013(5) 0.0097(5) 0.0027(5)
C13A 0.0298(7) 0.0633(10) 0.0354(7) 0.0073(7) 0.0083(5) -0.0008(6)
C14A 0.0340(9) 0.137(2) 0.0720(13) 0.0426(15) 0.0172(9) 0.0282(12)
C15A 0.0580(11) 0.0854(15) 0.0653(12) -0.0068(11) 0.0203(10) -0.0348(11)
C16A 0.0373(7) 0.0736(11) 0.0332(7) 0.0020(7) 0.0099(6) 0.0116(7)
C17A 0.0587(13) 0.0910(19) 0.0616(17) -0.0337(15) 0.0157(12) -0.0014(14)
C18A 0.1016(18) 0.156(3) 0.0349(9) 0.0292(13) 0.0267(11) 0.0639(18)
C19A 0.0379(7) 0.0363(7) 0.0497(8) 0.0101(6) 0.0050(6) 0.0004(6)
C20A 0.0425(10) 0.0515(11) 0.1063(18) 0.0141(12) 0.0187(11) -0.0110(8)
C21A 0.0756(14) 0.0392(9) 0.0566(11) -0.0062(8) 0.0057(9) -0.0011(9)

_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
Si C13B 1.834(7) . ?
Si C16B 1.847(7) . ?
Si C1 1.8547(12) . ?
Si C16A 1.8719(16) . ?
Si C13A 1.8795(14) . ?
Si C19A 1.8873(15) . ?
Si C19B 1.963(8) . ?
O1 N 1.2247(15) . ?
O2 N 1.2197(15) . ?
N C10 1.4713(15) . ?
C1 C2 1.2142(17) . ?
C2 C3 1.3703(17) . ?
C3 C4 1.2095(17) . ?
C4 C5 1.3701(16) . ?
C5 C6 1.2017(17) . ?
C6 C7 1.4327(16) . ?
C7 C8 1.3985(17) . ?
C7 C12 1.4007(17) . ?
C8 C9 1.3816(17) . ?
C9 C10 1.3821(17) . ?
C10 C11 1.3831(17) . ?
C11 C12 1.3822(16) . ?
C13A C14A 1.529(2) . ?
C13A C15A 1.534(3) . ?
C16A C17A 1.523(3) . ?
C16A C18A 1.535(3) . ?
C19A C20A 1.533(2) . ?
C19A C21A 1.539(3) . ?
C13B C14B 1.529(3) . ?
C13B C15B 1.534(3) . ?
C16B C17B 1.523(4) . ?
C16B C18B 1.535(3) . ?
C19B C20B 1.534(3) . ?
C19B C21B 1.539(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
C13B Si C16B 120.3(4) . . ?
C13B Si C1 106.8(3) . . ?
C16B Si C1 109.7(3) . . ?
C1 Si C16A 107.19(6) . . ?
C1 Si C13A 105.86(6) . . ?
C16A Si C13A 116.74(7) . . ?
C1 Si C19A 106.54(6) . . ?
C16A Si C19A 110.34(8) . . ?
C13A Si C19A 109.57(7) . . ?
C13B Si C19B 108.4(4) . . ?
C16B Si C19B 108.0(4) . . ?
C1 Si C19B 102.2(3) . . ?
O2 N O1 123.87(11) . . ?
O2 N C10 117.99(11) . . ?
O1 N C10 118.14(11) . . ?
C2 C1 Si 177.63(11) . . ?
C1 C2 C3 178.29(13) . . ?
C4 C3 C2 177.92(13) . . ?
C3 C4 C5 177.05(13) . . ?
C6 C5 C4 177.12(13) . . ?
C5 C6 C7 178.12(14) . . ?
C8 C7 C12 119.54(11) . . ?
C8 C7 C6 119.76(11) . . ?
C12 C7 C6 120.70(11) . . ?
C9 C8 C7 120.38(11) . . ?
C8 C9 C10 118.54(11) . . ?
C9 C10 C11 122.68(11) . . ?
C9 C10 N 118.64(11) . . ?
C11 C10 N 118.67(11) . . ?
C12 C11 C10 118.42(11) . . ?
C11 C12 C7 120.39(11) . . ?
C14A C13A C15A 111.29(17) . . ?
C14A C13A Si 112.81(12) . . ?
C15A C13A Si 114.57(13) . . ?
C17A C16A C18A 110.6(2) . . ?
C17A C16A Si 114.46(16) . . ?
C18A C16A Si 112.36(13) . . ?
C20A C19A C21A 110.94(18) . . ?
C20A C19A Si 111.61(13) . . ?
C21A C19A Si 112.35(11) . . ?
C14B C13B C15B 111.3(3) . . ?
C14B C13B Si 115.0(8) . . ?
C15B C13B Si 113.0(9) . . ?
C17B C16B C18B 110.5(4) . . ?
C17B C16B Si 113.6(9) . . ?
C18B C16B Si 113.0(8) . . ?
C20B C19B C21B 110.6(3) . . ?
C20B C19B Si 110.7(9) . . ?
C21B C19B Si 109.6(12) . . ?

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
C13B Si C1 C2 118(3) . . . . ?
C16B Si C1 C2 -13(3) . . . . ?
C16A Si C1 C2 173(3) . . . . ?
C13A Si C1 C2 -61(3) . . . . ?
C19A Si C1 C2 55(3) . . . . ?
C19B Si C1 C2 -128(3) . . . . ?
Si C1 C2 C3 -1(7) . . . . ?
C1 C2 C3 C4 -17(7) . . . . ?
C2 C3 C4 C5 -2(6) . . . . ?
C3 C4 C5 C6 -15(5) . . . . ?
C4 C5 C6 C7 65(6) . . . . ?
C5 C6 C7 C8 15(4) . . . . ?
C5 C6 C7 C12 -165(4) . . . . ?
C12 C7 C8 C9 -1.77(19) . . . . ?
C6 C7 C8 C9 178.60(11) . . . . ?
C7 C8 C9 C10 -0.17(19) . . . . ?
C8 C9 C10 C11 1.88(19) . . . . ?
C8 C9 C10 N -177.41(11) . . . . ?
O2 N C10 C9 177.08(12) . . . . ?
O1 N C10 C9 -2.45(16) . . . . ?
O2 N C10 C11 -2.24(16) . . . . ?
O1 N C10 C11 178.23(11) . . . . ?
C9 C10 C11 C12 -1.56(18) . . . . ?
N C10 C11 C12 177.73(11) . . . . ?
C10 C11 C12 C7 -0.47(18) . . . . ?
C8 C7 C12 C11 2.09(19) . . . . ?
C6 C7 C12 C11 -178.28(11) . . . . ?
C1 Si C13A C14A 170.42(15) . . . . ?
C16A Si C13A C14A -70.42(18) . . . . ?
C19A Si C13A C14A 55.89(17) . . . . ?
C1 Si C13A C15A -60.88(14) . . . . ?
C16A Si C13A C15A 58.28(15) . . . . ?
C19A Si C13A C15A -175.41(13) . . . . ?
C1 Si C16A C17A 60.61(16) . . . . ?
C13A Si C16A C17A -57.83(17) . . . . ?
C19A Si C16A C17A 176.24(15) . . . . ?
C1 Si C16A C18A -172.13(17) . . . . ?
C13A Si C16A C18A 69.43(19) . . . . ?
C19A Si C16A C18A -56.50(19) . . . . ?
C1 Si C19A C20A 60.77(15) . . . . ?
C16A Si C19A C20A -55.27(16) . . . . ?
C13A Si C19A C20A 174.86(14) . . . . ?
C1 Si C19A C21A -64.58(13) . . . . ?
C16A Si C19A C21A 179.38(12) . . . . ?
C13A Si C19A C21A 49.50(14) . . . . ?
C16B Si C13B C14B -60.2(10) . . . . ?
C1 Si C13B C14B 174.1(8) . . . . ?
C19B Si C13B C14B 64.6(9) . . . . ?
C16B Si C13B C15B 69.1(10) . . . . ?
C1 Si C13B C15B -56.6(9) . . . . ?
C19B Si C13B C15B -166.1(9) . . . . ?
C13B Si C16B C17B -59.0(9) . . . . ?
C1 Si C16B C17B 65.3(8) . . . . ?
C19B Si C16B C17B 176.0(8) . . . . ?
C13B Si C16B C18B 67.9(9) . . . . ?
C1 Si C16B C18B -167.8(7) . . . . ?
C19B Si C16B C18B -57.2(9) . . . . ?
C13B Si C19B C20B 174.8(8) . . . . ?
C16B Si C19B C20B -53.3(9) . . . . ?
C1 Si C19B C20B 62.3(8) . . . . ?
C13B Si C19B C21B 52.5(9) . . . . ?
C16B Si C19B C21B -175.7(9) . . . . ?
C1 Si C19B C21B -60.0(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.148
_refine_diff_density_rms         0.049

#===END