# Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2003

data_global
_journal_name_full               Org.Biomol.Chem.
_journal_coden_Cambridge         0177

# Name of contact person
_publ_contact_author             'Sethuraman Sankararaman'
_publ_contact_author_phone       91(44)2578277
_publ_contact_author_fax         91(44)2578241
# e-mail address of contact person              
_publ_contact_author_email       
;
sanka@iitm.ac.in
;
_publ_section_title              
;
Synthesis of differentially
protected/functionalised acetylenic building blocks from p-benzoquinone
and their use in the synthesis of new enediynes
;

loop_
_publ_author_name
_publ_author_address
'Manivannan Srinivasan'
;  
Department of chemistry
Indian Institute of Technology
Chennai  600 036
INDIA
;
'Sethuraman Sankararaman'
;  
Department of chemistry
Indian Institute of Technology
Chennai  600 036
INDIA
;

_publ_section_references         
; 
Bruker (1998a) SAINTPlus Data Reduction and Correction Program v. 6.01, Bruker 
AXS, Madison, Wisconsin, USA. 

Bruker (1998b) SMART. Bruker Molecular Analysis Research Tool, 
v. 5.059. Bruker AXS, Madison, Wisconsin, USA. 

Sheldrick G.M. (1998a). SADABS v.2.01, Bruker/Siemens Area Detector 
Absorption Correction Program, Bruker AXS, Madison, Wisconsin, USA. 

Sheldrick G.M. (1998b). SHELXTL v. 5.10, Structure Determination Software 
Suite, Bruker AXS, Madison, Wisconsin, USA. 
;

#=======================================================================

data_diol
_database_code_CSD               202840

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H24 O2 Si2'
_chemical_formula_weight         304.53

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pca21

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

_cell_length_a                   12.818(7)
_cell_length_b                   10.012(5)
_cell_length_c                   29.263(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3756(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    115(2)
_cell_measurement_reflns_used    313
_cell_measurement_theta_min      3
_cell_measurement_theta_max      18

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1312
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      115(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 SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            18239
_diffrn_reflns_av_R_equivalents  0.1206
_diffrn_reflns_av_sigmaI/netI    0.1555
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         24.12
_reflns_number_total             5904
_reflns_number_gt                2540
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'

_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^)+(0.0984P)^2^+0.0000P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.6(4)
_refine_ls_number_reflns         5904
_refine_ls_number_parameters     373
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.1590
_refine_ls_R_factor_gt           0.0757
_refine_ls_wR_factor_ref         0.2075
_refine_ls_wR_factor_gt          0.1745
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_restrained_S_all      0.846
_refine_ls_shift/su_max          0.000
_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
Si1 Si 0.9394(2) -0.0161(3) 0.75127(11) 0.0408(9) Uani 1 1 d . . .
Si2 Si 0.4559(2) 0.0123(3) 0.43901(11) 0.0415(9) Uani 1 1 d . . .
O1 O 0.8283(4) 0.1199(6) 0.5913(2) 0.0321(16) Uani 1 1 d D . .
H1 H 0.789(3) 0.147(6) 0.5693(18) 0.038 Uiso 1 1 d D . .
O2 O 0.5242(4) -0.2350(5) 0.5904(2) 0.0318(14) Uani 1 1 d D . .
H2 H 0.462(2) -0.203(7) 0.592(3) 0.038 Uiso 1 1 d D . .
C1 C 0.7732(7) 0.0101(8) 0.6157(4) 0.026(2) Uani 1 1 d D . .
C2 C 0.7829(6) -0.1166(8) 0.5874(3) 0.020(2) Uani 1 1 d . . .
H2A H 0.8484 -0.1531 0.5818 0.024 Uiso 1 1 calc R . .
C3 C 0.6981(6) -0.1754(8) 0.5707(3) 0.034(2) Uani 1 1 d . . .
H3A H 0.7074 -0.2549 0.5548 0.041 Uiso 1 1 calc R . .
C4 C 0.5871(7) -0.1238(9) 0.5755(3) 0.035(2) Uani 1 1 d . . .
C5 C 0.5827(7) -0.0089(8) 0.6085(4) 0.033(3) Uani 1 1 d . . .
H5A H 0.5174 0.0213 0.6178 0.039 Uiso 1 1 calc R . .
C6 C 0.6640(6) 0.0504(9) 0.6249(3) 0.027(2) Uani 1 1 d . . .
H6A H 0.6532 0.1237 0.6438 0.032 Uiso 1 1 calc R . .
C7 C 0.8302(7) -0.0044(7) 0.6600(4) 0.028(3) Uani 1 1 d . . .
C8 C 0.8737(7) -0.0128(8) 0.6958(3) 0.032(3) Uani 1 1 d . . .
C9 C 1.0017(10) -0.1815(11) 0.7592(4) 0.077(4) Uani 1 1 d . . .
H9A H 1.0364 -0.1840 0.7883 0.115 Uiso 1 1 calc R . .
H9B H 1.0517 -0.1962 0.7353 0.115 Uiso 1 1 calc R . .
H9C H 0.9494 -0.2500 0.7582 0.115 Uiso 1 1 calc R . .
C10 C 0.8359(10) 0.0156(12) 0.7938(5) 0.072(4) Uani 1 1 d . . .
H10A H 0.8656 0.0151 0.8239 0.108 Uiso 1 1 calc R . .
H10B H 0.7837 -0.0529 0.7917 0.108 Uiso 1 1 calc R . .
H10C H 0.8046 0.1010 0.7880 0.108 Uiso 1 1 calc R . .
C11 C 1.0439(8) 0.1161(11) 0.7516(4) 0.076(4) Uani 1 1 d . . .
H11A H 1.0790 0.1155 0.7806 0.115 Uiso 1 1 calc R . .
H11B H 1.0127 0.2021 0.7467 0.115 Uiso 1 1 calc R . .
H11C H 1.0932 0.0982 0.7277 0.115 Uiso 1 1 calc R . .
C12 C 0.5486(7) -0.0777(8) 0.5297(4) 0.035(2) Uani 1 1 d . . .
C13 C 0.5154(7) -0.0366(10) 0.4935(4) 0.039(2) Uani 1 1 d . . .
C14 C 0.5404(7) 0.1496(9) 0.4141(3) 0.047(3) Uani 1 1 d . . .
H14A H 0.5117 0.1781 0.3854 0.070 Uiso 1 1 calc R . .
H14B H 0.6098 0.1165 0.4095 0.070 Uiso 1 1 calc R . .
H14C H 0.5423 0.2238 0.4349 0.070 Uiso 1 1 calc R . .
C15 C 0.3236(8) 0.0728(15) 0.4521(4) 0.089(5) Uani 1 1 d . . .
H15A H 0.2896 0.0994 0.4243 0.134 Uiso 1 1 calc R . .
H15B H 0.3279 0.1478 0.4724 0.134 Uiso 1 1 calc R . .
H15C H 0.2842 0.0026 0.4663 0.134 Uiso 1 1 calc R . .
C16 C 0.4629(12) -0.1366(12) 0.4020(4) 0.101(6) Uani 1 1 d . . .
H16A H 0.4326 -0.1164 0.3728 0.151 Uiso 1 1 calc R . .
H16B H 0.4253 -0.2087 0.4159 0.151 Uiso 1 1 calc R . .
H16C H 0.5346 -0.1620 0.3980 0.151 Uiso 1 1 calc R . .
Si1' Si 0.8098(2) 0.5089(3) 0.66818(12) 0.0416(9) Uani 1 1 d . . .
Si2' Si 0.3299(2) 0.4770(3) 0.35477(11) 0.0427(8) Uani 1 1 d . . .
O1' O 0.7418(4) 0.2640(5) 0.5159(2) 0.0360(15) Uani 1 1 d D . .
H1' H 0.800(3) 0.288(8) 0.504(2) 0.043 Uiso 1 1 d D . .
O2' O 0.4398(4) 0.6199(6) 0.5147(3) 0.0345(18) Uani 1 1 d D . .
H2' H 0.480(3) 0.661(5) 0.534(2) 0.041 Uiso 1 1 d D . .
C1' C 0.6786(6) 0.3767(8) 0.5323(3) 0.026(2) Uani 1 1 d . . .
C2' C 0.5689(6) 0.3237(8) 0.5369(3) 0.030(2) Uani 1 1 d . . .
H2'A H 0.5587 0.2437 0.5524 0.036 Uiso 1 1 calc R . .
C3' C 0.4842(7) 0.3876(9) 0.5194(3) 0.033(2) Uani 1 1 d . . .
H3'A H 0.4186 0.3514 0.5249 0.040 Uiso 1 1 calc R . .
C4' C 0.4909(7) 0.5114(8) 0.4920(3) 0.027(2) Uani 1 1 d D . .
C5' C 0.6042(7) 0.5533(9) 0.4822(3) 0.035(2) Uani 1 1 d . . .
H5'A H 0.6152 0.6263 0.4631 0.041 Uiso 1 1 calc R . .
C6' C 0.6857(6) 0.4925(7) 0.4990(4) 0.022(3) Uani 1 1 d . . .
H6'A H 0.7515 0.5216 0.4901 0.026 Uiso 1 1 calc R . .
C7' C 0.7185(6) 0.4226(8) 0.5768(3) 0.030(2) Uani 1 1 d . . .
C8' C 0.7528(8) 0.4614(10) 0.6132(3) 0.041(2) Uani 1 1 d . . .
C9' C 0.7346(10) 0.6437(9) 0.6949(5) 0.069(4) Uani 1 1 d . . .
H9'A H 0.7658 0.6670 0.7237 0.104 Uiso 1 1 calc R . .
H9'B H 0.6642 0.6144 0.6999 0.104 Uiso 1 1 calc R . .
H9'C H 0.7344 0.7204 0.6752 0.104 Uiso 1 1 calc R . .
C10' C 0.9436(8) 0.5708(14) 0.6569(4) 0.074(4) Uani 1 1 d . . .
H10D H 0.9757 0.5967 0.6851 0.111 Uiso 1 1 calc R . .
H10E H 0.9403 0.6465 0.6368 0.111 Uiso 1 1 calc R . .
H10F H 0.9840 0.5013 0.6428 0.111 Uiso 1 1 calc R . .
C11' C 0.8135(10) 0.3616(10) 0.7068(4) 0.073(4) Uani 1 1 d . . .
H11D H 0.8434 0.3871 0.7356 0.110 Uiso 1 1 calc R . .
H11E H 0.8551 0.2925 0.6932 0.110 Uiso 1 1 calc R . .
H11F H 0.7438 0.3292 0.7116 0.110 Uiso 1 1 calc R . .
C12' C 0.4353(6) 0.4960(7) 0.4475(4) 0.027(3) Uani 1 1 d . . .
C13' C 0.3927(7) 0.4839(8) 0.4113(4) 0.034(3) Uani 1 1 d . . .
C14' C 0.2474(10) 0.6257(12) 0.3487(5) 0.089(4) Uani 1 1 d . . .
H14D H 0.2137 0.6243 0.3194 0.133 Uiso 1 1 calc R . .
H14E H 0.2897 0.7044 0.3512 0.133 Uiso 1 1 calc R . .
H14F H 0.1955 0.6261 0.3724 0.133 Uiso 1 1 calc R . .
C15' C 0.4343(10) 0.4811(12) 0.3115(5) 0.075(4) Uani 1 1 d . . .
H15D H 0.4774 0.4033 0.3147 0.113 Uiso 1 1 calc R . .
H15E H 0.4759 0.5598 0.3157 0.113 Uiso 1 1 calc R . .
H15F H 0.4038 0.4824 0.2815 0.113 Uiso 1 1 calc R . .
C16' C 0.2563(9) 0.3166(9) 0.3491(4) 0.062(3) Uani 1 1 d . . .
H16D H 0.3035 0.2429 0.3526 0.093 Uiso 1 1 calc R . .
H16E H 0.2241 0.3125 0.3195 0.093 Uiso 1 1 calc R . .
H16F H 0.2035 0.3121 0.3723 0.093 Uiso 1 1 calc R . .

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
Si1 0.0512(18) 0.0379(19) 0.033(2) -0.0014(15) -0.0084(13) -0.0124(15)
Si2 0.0551(18) 0.034(2) 0.036(2) 0.0041(14) -0.0013(15) 0.0075(15)
O1 0.031(4) 0.023(3) 0.042(4) 0.015(3) 0.000(3) -0.007(3)
O2 0.029(3) 0.015(3) 0.051(4) 0.003(3) -0.003(3) -0.005(3)
C1 0.024(5) 0.015(5) 0.039(7) -0.003(4) 0.001(4) 0.003(4)
C2 0.014(4) 0.013(5) 0.034(7) -0.007(4) -0.001(4) -0.003(4)
C3 0.040(6) 0.026(5) 0.036(6) -0.006(4) 0.005(4) 0.010(5)
C4 0.024(5) 0.032(5) 0.048(7) 0.012(5) -0.001(4) -0.006(5)
C5 0.036(6) 0.021(7) 0.041(9) -0.009(4) 0.012(4) -0.010(5)
C6 0.022(5) 0.025(5) 0.032(5) -0.003(4) -0.007(4) -0.006(4)
C7 0.031(5) 0.012(6) 0.040(9) 0.001(4) 0.006(4) -0.003(4)
C8 0.041(6) 0.027(6) 0.028(7) 0.000(4) 0.002(4) -0.017(5)
C9 0.088(9) 0.075(9) 0.068(9) -0.014(7) -0.040(7) 0.029(8)
C10 0.094(10) 0.086(10) 0.035(9) -0.003(6) -0.003(6) -0.004(8)
C11 0.070(8) 0.062(8) 0.097(10) -0.008(7) -0.030(7) -0.029(7)
C12 0.029(5) 0.023(5) 0.054(7) 0.003(5) 0.007(5) 0.000(4)
C13 0.039(6) 0.034(5) 0.044(7) 0.002(6) 0.002(5) -0.011(5)
C14 0.064(7) 0.031(6) 0.045(7) 0.005(5) 0.007(5) 0.004(5)
C15 0.051(7) 0.122(12) 0.095(11) 0.043(10) -0.018(7) 0.019(8)
C16 0.202(18) 0.050(9) 0.050(9) -0.006(7) 0.000(9) -0.029(10)
Si1' 0.0585(18) 0.035(2) 0.032(2) -0.0037(13) -0.0065(14) 0.0113(15)
Si2' 0.0552(19) 0.0357(16) 0.037(2) 0.0024(17) -0.0136(14) -0.0138(15)
O1' 0.027(3) 0.025(3) 0.056(4) -0.004(3) -0.004(3) 0.002(3)
O2' 0.035(4) 0.029(4) 0.040(5) -0.007(4) -0.002(3) 0.003(3)
C1' 0.028(5) 0.013(4) 0.038(6) 0.000(4) 0.001(4) 0.008(4)
C2' 0.022(5) 0.013(4) 0.053(6) 0.007(4) 0.004(4) -0.003(4)
C3' 0.040(6) 0.025(5) 0.035(6) 0.001(4) 0.007(5) 0.000(5)
C4' 0.028(5) 0.026(6) 0.027(6) -0.008(4) -0.010(4) 0.001(5)
C5' 0.041(6) 0.023(5) 0.039(6) -0.005(5) 0.015(5) -0.011(5)
C6' 0.023(5) 0.018(6) 0.024(7) -0.003(3) -0.003(3) -0.004(4)
C7' 0.026(5) 0.026(5) 0.038(6) 0.010(4) 0.007(4) 0.005(4)
C8' 0.040(6) 0.048(6) 0.036(7) -0.007(6) 0.002(5) 0.010(5)
C9' 0.102(10) 0.030(6) 0.076(10) -0.009(6) 0.043(7) -0.018(7)
C10' 0.045(7) 0.114(11) 0.064(8) -0.034(8) -0.021(5) 0.006(7)
C11' 0.127(12) 0.036(7) 0.058(8) -0.005(6) -0.026(7) 0.006(7)
C12' 0.031(5) 0.015(6) 0.034(8) 0.001(4) -0.002(4) 0.007(4)
C13' 0.035(5) 0.020(6) 0.046(8) -0.002(4) -0.005(5) -0.014(5)
C14' 0.078(9) 0.112(10) 0.076(9) -0.031(9) -0.051(7) 0.026(9)
C15' 0.115(11) 0.070(9) 0.041(9) -0.004(6) 0.010(7) -0.026(8)
C16' 0.087(9) 0.056(7) 0.042(7) 0.002(6) -0.016(6) -0.026(7)

_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 C8 1.829(11) . ?
Si1 C10 1.847(14) . ?
Si1 C9 1.854(11) . ?
Si1 C11 1.883(10) . ?
Si2 C13 1.834(12) . ?
Si2 C15 1.841(11) . ?
Si2 C16 1.844(12) . ?
Si2 C14 1.895(9) . ?
O1 C1 1.488(10) . ?
O1 H1 0.861(50) . ?
O2 C4 1.442(9) . ?
O2 H2 0.860(10) . ?
C1 C6 1.481(12) . ?
C1 C7 1.495(15) . ?
C1 C2 1.520(11) . ?
C2 C3 1.330(11) . ?
C2 H2A 0.9300 . ?
C3 C4 1.519(11) . ?
C3 H3A 0.9300 . ?
C4 C12 1.500(13) . ?
C4 C5 1.504(12) . ?
C5 C6 1.292(12) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.190(14) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.214(12) . ?
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 . ?
Si1' C8' 1.830(11) . ?
Si1' C9' 1.834(10) . ?
Si1' C10' 1.854(11) . ?
Si1' C11' 1.859(11) . ?
Si2' C14' 1.834(11) . ?
Si2' C13' 1.841(11) . ?
Si2' C15' 1.844(14) . ?
Si2' C16' 1.870(9) . ?
O1' C1' 1.470(9) . ?
O1' H1' 0.859(50) . ?
O2' C4' 1.433(11) . ?
O2' H2' 0.862(50) . ?
C1' C7' 1.471(12) . ?
C1' C2' 1.509(11) . ?
C1' C6' 1.518(12) . ?
C2' C3' 1.360(12) . ?
C2' H2'A 0.9300 . ?
C3' C4' 1.478(12) . ?
C3' H3'A 0.9300 . ?
C4' C12' 1.492(14) . ?
C4' C5' 1.538(13) . ?
C5' C6' 1.306(12) . ?
C5' H5'A 0.9300 . ?
C6' H6'A 0.9300 . ?
C7' C8' 1.216(12) . ?
C9' H9'A 0.9600 . ?
C9' H9'B 0.9600 . ?
C9' H9'C 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
C11' H11D 0.9600 . ?
C11' H11E 0.9600 . ?
C11' H11F 0.9600 . ?
C12' C13' 1.198(14) . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?
C15' H15D 0.9600 . ?
C15' H15E 0.9600 . ?
C15' H15F 0.9600 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 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 Si1 C10 105.3(5) . . ?
C8 Si1 C9 109.0(5) . . ?
C10 Si1 C9 112.2(6) . . ?
C8 Si1 C11 108.6(5) . . ?
C10 Si1 C11 112.8(6) . . ?
C9 Si1 C11 108.7(6) . . ?
C13 Si2 C15 106.9(5) . . ?
C13 Si2 C16 106.0(5) . . ?
C15 Si2 C16 115.6(7) . . ?
C13 Si2 C14 106.9(4) . . ?
C15 Si2 C14 111.5(5) . . ?
C16 Si2 C14 109.4(6) . . ?
C1 O1 H1 108.3(14) . . ?
C4 O2 H2 105(5) . . ?
C6 C1 O1 109.5(6) . . ?
C6 C1 C7 109.3(8) . . ?
O1 C1 C7 104.8(6) . . ?
C6 C1 C2 113.8(7) . . ?
O1 C1 C2 108.5(8) . . ?
C7 C1 C2 110.5(7) . . ?
C3 C2 C1 120.2(8) . . ?
C3 C2 H2A 119.9 . . ?
C1 C2 H2A 119.9 . . ?
C2 C3 C4 125.5(8) . . ?
C2 C3 H3A 117.2 . . ?
C4 C3 H3A 117.2 . . ?
O2 C4 C12 108.9(7) . . ?
O2 C4 C5 112.0(7) . . ?
C12 C4 C5 109.0(8) . . ?
O2 C4 C3 106.8(7) . . ?
C12 C4 C3 109.3(7) . . ?
C5 C4 C3 110.8(8) . . ?
C6 C5 C4 124.0(9) . . ?
C6 C5 H5A 118.0 . . ?
C4 C5 H5A 118.0 . . ?
C5 C6 C1 124.8(8) . . ?
C5 C6 H6A 117.6 . . ?
C1 C6 H6A 117.6 . . ?
C8 C7 C1 177.9(10) . . ?
C7 C8 Si1 176.9(8) . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C4 177.6(10) . . ?
C12 C13 Si2 174.4(9) . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8' Si1' C9' 110.9(6) . . ?
C8' Si1' C10' 107.4(5) . . ?
C9' Si1' C10' 108.4(5) . . ?
C8' Si1' C11' 109.8(5) . . ?
C9' Si1' C11' 109.7(6) . . ?
C10' Si1' C11' 110.5(6) . . ?
C14' Si2' C13' 108.0(5) . . ?
C14' Si2' C15' 109.5(7) . . ?
C13' Si2' C15' 107.4(6) . . ?
C14' Si2' C16' 113.4(6) . . ?
C13' Si2' C16' 109.4(4) . . ?
C15' Si2' C16' 108.9(6) . . ?
C1' O1' H1' 113(6) . . ?
C4' O2' H2' 113.0(16) . . ?
O1' C1' C7' 109.7(6) . . ?
O1' C1' C2' 105.9(6) . . ?
C7' C1' C2' 110.8(7) . . ?
O1' C1' C6' 110.1(6) . . ?
C7' C1' C6' 108.0(7) . . ?
C2' C1' C6' 112.4(7) . . ?
C3' C2' C1' 123.0(7) . . ?
C3' C2' H2'A 118.5 . . ?
C1' C2' H2'A 118.5 . . ?
C2' C3' C4' 123.6(8) . . ?
C2' C3' H3'A 118.2 . . ?
C4' C3' H3'A 118.2 . . ?
O2' C4' C3' 111.0(9) . . ?
O2' C4' C12' 105.3(7) . . ?
C3' C4' C12' 111.0(7) . . ?
O2' C4' C5' 108.1(7) . . ?
C3' C4' C5' 112.6(8) . . ?
C12' C4' C5' 108.4(8) . . ?
C6' C5' C4' 123.9(8) . . ?
C6' C5' H5'A 118.1 . . ?
C4' C5' H5'A 118.1 . . ?
C5' C6' C1' 123.4(8) . . ?
C5' C6' H6'A 118.3 . . ?
C1' C6' H6'A 118.3 . . ?
C8' C7' C1' 179.0(9) . . ?
C7' C8' Si1' 176.0(9) . . ?
Si1' C9' H9'A 109.5 . . ?
Si1' C9' H9'B 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
Si1' C9' H9'C 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
Si1' C10' H10D 109.5 . . ?
Si1' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
Si1' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
Si1' C11' H11D 109.5 . . ?
Si1' C11' H11E 109.5 . . ?
H11D C11' H11F 109.5 . . ?
Si1' C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C13' C12' C4' 178.5(10) . . ?
C12' C13' Si2' 176.1(8) . . ?
Si2' C14' H14D 109.5 . . ?
Si2' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
Si2' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
Si2' C15' H15D 109.5 . . ?
Si2' C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
Si2' C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
Si2' C16' H16D 109.5 . . ?
Si2' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
Si2' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 4.6(12) . . . . ?
O1 C1 C2 C3 -117.6(9) . . . . ?
C7 C1 C2 C3 128.0(9) . . . . ?
C1 C2 C3 C4 2.8(14) . . . . ?
C2 C3 C4 O2 -131.9(9) . . . . ?
C2 C3 C4 C12 110.4(10) . . . . ?
C2 C3 C4 C5 -9.7(12) . . . . ?
O2 C4 C5 C6 129.1(10) . . . . ?
C12 C4 C5 C6 -110.3(11) . . . . ?
C3 C4 C5 C6 10.0(13) . . . . ?
C4 C5 C6 C1 -3.5(16) . . . . ?
O1 C1 C6 C5 117.2(10) . . . . ?
C7 C1 C6 C5 -128.5(10) . . . . ?
C2 C1 C6 C5 -4.4(14) . . . . ?
O1' C1' C2' C3' -131.0(8) . . . . ?
C7' C1' C2' C3' 110.2(9) . . . . ?
C6' C1' C2' C3' -10.8(12) . . . . ?
C1' C2' C3' C4' 3.3(14) . . . . ?
C2' C3' C4' O2' -116.6(9) . . . . ?
C2' C3' C4' C12' 126.6(9) . . . . ?
C2' C3' C4' C5' 4.8(12) . . . . ?
O2' C4' C5' C6' 118.1(10) . . . . ?
C3' C4' C5' C6' -4.9(13) . . . . ?
C12' C4' C5' C6' -128.2(10) . . . . ?
C4' C5' C6' C1' -3.2(15) . . . . ?
O1' C1' C6' C5' 128.4(9) . . . . ?
C7' C1' C6' C5' -111.9(10) . . . . ?
C2' C1' C6' C5' 10.7(13) . . . . ?
C11' Si1' C8' C7' -42(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        24.12
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.097