# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_spiroa
_database_code_depnum_ccdc_archive 'CCDC 1896594'
loop_
_audit_author_name
_audit_author_address
'Morgane Sanselme'
;University of Rouen
France
;
_audit_update_record             
;
2019-02-11 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_date             2018-11-05T20:43:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C10 H8 Cl2 O4'
_chemical_formula_sum            'C10 H8 Cl2 O4'
_chemical_formula_weight         263.06
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#


_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   7.1904(15)
_cell_length_b                   17.064(4)
_cell_length_c                   8.7260(19)
_cell_angle_alpha                90
_cell_angle_beta                 100.039(4)
_cell_angle_gamma                90
_cell_volume                     1054.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1714
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      26.41
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0
_exptl_crystal_size_mid          0
_exptl_crystal_size_min          0
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             536
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.609
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'SMART APEX I Bruker'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_number            8325
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.37
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_full        26.41
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_reflns_number_total             2153
_reflns_number_gt                1714
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       SMART
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0553P)²+0.1365P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         2153
_refine_ls_number_parameters     148
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.1066
_refine_ls_wR_factor_gt          0.0986
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.061

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 0.2278(3) 0.61638(12) 0.5410(2) 0.0385(5) Uani 1 1 d . . .
C2 C 0.2369(3) 0.53187(11) 0.5558(2) 0.0343(5) Uani 1 1 d . . .
C3 C 0.2647(3) 0.47734(12) 0.4437(2) 0.0348(5) Uani 1 1 d . . .
C4 C 0.2637(3) 0.39908(11) 0.4860(2) 0.0361(5) Uani 1 1 d . . .
C5 C 0.2313(3) 0.37622(11) 0.6341(2) 0.0358(5) Uani 1 1 d . . .
C6 C 0.2009(3) 0.43361(12) 0.7424(2) 0.0359(5) Uani 1 1 d . . .
C7 C 0.2065(3) 0.51140(11) 0.7021(2) 0.0338(5) Uani 1 1 d . . .
C8 C 0.1862(3) 0.58546(11) 0.7915(2) 0.0388(5) Uani 1 1 d . . .
H8 H 0.0628 0.5865 0.8246 0.047 Uiso 1 1 calc R . .
C9 C 0.3408(4) 0.59913(13) 0.9295(3) 0.0488(6) Uani 1 1 d . . .
H9A H 0.4621 0.5954 0.8956 0.059 Uiso 1 1 calc R . .
H9B H 0.3356 0.5581 1.0055 0.059 Uiso 1 1 calc R . .
C10 C 0.3276(4) 0.67808(15) 1.0069(3) 0.0670(8) Uani 1 1 d . . .
H10A H 0.3404 0.7191 0.9342 0.1 Uiso 1 1 calc R . .
H10B H 0.4268 0.6825 1.0957 0.1 Uiso 1 1 calc R . .
H10C H 0.2074 0.6826 1.0397 0.1 Uiso 1 1 calc R . .
Cl1 Cl 0.15154(10) 0.40504(3) 0.92077(7) 0.0536(2) Uani 1 1 d . . .
Cl2 Cl 0.29788(9) 0.32733(3) 0.35463(7) 0.0506(2) Uani 1 1 d . . .
O1 O 0.2446(2) 0.65553(8) 0.42830(18) 0.0489(4) Uani 1 1 d . . .
O2 O 0.1953(2) 0.64708(8) 0.67548(17) 0.0434(4) Uani 1 1 d . . .
O3 O 0.2903(3) 0.49806(9) 0.30021(17) 0.0490(4) Uani 1 1 d . . .
H3 H 0.2793 0.5457 0.2902 0.073 Uiso 1 1 calc R . .
O4 O 0.2262(3) 0.30182(9) 0.67982(18) 0.0509(4) Uani 1 1 d . . .
H4 H 0.2496 0.2729 0.6106 0.076 Uiso 1 1 calc R . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 O1 1.212(2) . ?
C1 O2 1.342(2) . ?
C1 C2 1.448(3) . ?
C2 C7 1.378(3) . ?
C2 C3 1.389(3) . ?
C3 O3 1.344(2) . ?
C3 C4 1.386(3) . ?
C4 C5 1.408(3) . ?
C4 Cl2 1.724(2) . ?
C5 O4 1.333(2) . ?
C5 C6 1.405(3) . ?
C6 C7 1.376(3) . ?
C6 Cl1 1.726(2) . ?
C7 C8 1.506(3) . ?
C8 O2 1.469(2) . ?
C8 C9 1.508(3) . ?
C8 H8 0.98 . ?
C9 C10 1.517(3) . ?
C9 H9A 0.97 . ?
C9 H9B 0.97 . ?
C10 H10A 0.96 . ?
C10 H10B 0.96 . ?
C10 H10C 0.96 . ?
O3 H3 0.82 . ?
O4 H4 0.82 . ?

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 C1 O2 123.45(19) . . ?
O1 C1 C2 127.70(19) . . ?
O2 C1 C2 108.84(17) . . ?
C7 C2 C3 123.24(18) . . ?
C7 C2 C1 108.84(17) . . ?
C3 C2 C1 127.89(19) . . ?
O3 C3 C4 120.62(18) . . ?
O3 C3 C2 122.63(18) . . ?
C4 C3 C2 116.74(18) . . ?
C3 C4 C5 121.39(19) . . ?
C3 C4 Cl2 119.97(16) . . ?
C5 C4 Cl2 118.63(15) . . ?
O4 C5 C6 116.53(18) . . ?
O4 C5 C4 123.80(18) . . ?
C6 C5 C4 119.67(18) . . ?
C7 C6 C5 119.05(18) . . ?
C7 C6 Cl1 121.54(16) . . ?
C5 C6 Cl1 119.39(15) . . ?
C6 C7 C2 119.89(18) . . ?
C6 C7 C8 131.87(18) . . ?
C2 C7 C8 108.24(17) . . ?
O2 C8 C7 102.91(15) . . ?
O2 C8 C9 108.93(17) . . ?
C7 C8 C9 114.77(18) . . ?
O2 C8 H8 110 . . ?
C7 C8 H8 110 . . ?
C9 C8 H8 110 . . ?
C8 C9 C10 113.5(2) . . ?
C8 C9 H9A 108.9 . . ?
C10 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
C10 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
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 . . ?
C1 O2 C8 111.02(15) . . ?
C3 O3 H3 109.5 . . ?
C5 O4 H4 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
O1 C1 C2 C7 -178.7(2) . . . . ?
O2 C1 C2 C7 0.9(2) . . . . ?
O1 C1 C2 C3 -0.8(4) . . . . ?
O2 C1 C2 C3 178.7(2) . . . . ?
C7 C2 C3 O3 178.57(19) . . . . ?
C1 C2 C3 O3 1.0(3) . . . . ?
C7 C2 C3 C4 -1.0(3) . . . . ?
C1 C2 C3 C4 -178.6(2) . . . . ?
O3 C3 C4 C5 -178.0(2) . . . . ?
C2 C3 C4 C5 1.6(3) . . . . ?
O3 C3 C4 Cl2 0.6(3) . . . . ?
C2 C3 C4 Cl2 -179.75(16) . . . . ?
C3 C4 C5 O4 179.0(2) . . . . ?
Cl2 C4 C5 O4 0.3(3) . . . . ?
C3 C4 C5 C6 -0.6(3) . . . . ?
Cl2 C4 C5 C6 -179.26(17) . . . . ?
O4 C5 C6 C7 179.3(2) . . . . ?
C4 C5 C6 C7 -1.1(3) . . . . ?
O4 C5 C6 Cl1 -2.3(3) . . . . ?
C4 C5 C6 Cl1 177.32(16) . . . . ?
C5 C6 C7 C2 1.6(3) . . . . ?
Cl1 C6 C7 C2 -176.74(16) . . . . ?
C5 C6 C7 C8 -177.8(2) . . . . ?
Cl1 C6 C7 C8 3.8(3) . . . . ?
C3 C2 C7 C6 -0.6(3) . . . . ?
C1 C2 C7 C6 177.44(19) . . . . ?
C3 C2 C7 C8 179.0(2) . . . . ?
C1 C2 C7 C8 -3.0(2) . . . . ?
C6 C7 C8 O2 -176.7(2) . . . . ?
C2 C7 C8 O2 3.9(2) . . . . ?
C6 C7 C8 C9 65.1(3) . . . . ?
C2 C7 C8 C9 -114.3(2) . . . . ?
O2 C8 C9 C10 59.2(3) . . . . ?
C7 C8 C9 C10 174.0(2) . . . . ?
O1 C1 O2 C8 -178.6(2) . . . . ?
C2 C1 O2 C8 1.8(2) . . . . ?
C7 C8 O2 C1 -3.4(2) . . . . ?
C9 C8 O2 C1 118.79(19) . . . . ?

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
O3 H3 O1 0.82 2.27 2.951(2) 141.4 .
O4 H4 O1 0.82 2.03 2.690(2) 136.8 2_546

# END of CIF
####################################################################### 
# 
# 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_pc792a
_database_code_depnum_ccdc_archive 'CCDC 1896595'
loop_
_audit_author_name
_audit_author_address
'Morgane Sanselme'
;University of Rouen
France
;
_audit_update_record             
;
2019-02-11 deposited with the CCDC.	2019-03-21 downloaded from the CCDC.
;

_audit_creation_date             2018-10-25T17:19:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C26 H49 N O4 si2'
_chemical_formula_sum            'C26 H49 N O4 Si2'
_chemical_formula_weight         495.84
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   12.4339(19)
_cell_length_b                   19.941(3)
_cell_length_c                   12.7210(19)
_cell_angle_alpha                90
_cell_angle_beta                 96.173(3)
_cell_angle_gamma                90
_cell_volume                     3135.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2549
_cell_measurement_theta_min      1.91
_cell_measurement_theta_max      26.42
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0
_exptl_crystal_size_mid          0
_exptl_crystal_size_min          0
_exptl_crystal_density_diffrn    1.05
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1088
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.14
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'SMART APEX I Bruker'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0912
_diffrn_reflns_av_unetI/netI     0.0938
_diffrn_reflns_number            24651
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_full        26.42
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_reflns_number_total             6430
_reflns_number_gt                2549
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_solution    'SHELXD (Sheldrick, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         6430
_refine_ls_number_parameters     312
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1895
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_ref         0.2425
_refine_ls_wR_factor_gt          0.1887
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.046

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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 0.006 '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'

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
C9 C 0.6304(5) -0.1058(3) 0.7865(4) 0.1286(19) Uani 1 1 d . . .
H9A H 0.6696 -0.0664 0.8113 0.193 Uiso 1 1 calc R . .
H9B H 0.6545 -0.1434 0.8299 0.193 Uiso 1 1 calc R . .
H9C H 0.5545 -0.0988 0.7901 0.193 Uiso 1 1 calc R . .
C1 C 0.5735(3) -0.14250(19) 0.3217(3) 0.0661(10) Uani 1 1 d . . .
C2 C 0.6654(3) -0.11998(19) 0.2789(3) 0.0697(11) Uani 1 1 d . . .
H2 H 0.6779 -0.1321 0.2107 0.084 Uiso 1 1 calc R . .
C3 C 0.7373(3) -0.07963(19) 0.3390(3) 0.0672(10) Uani 1 1 d . . .
C4 C 0.7184(3) -0.06163(18) 0.4402(3) 0.0683(10) Uani 1 1 d . . .
H4 H 0.7676 -0.0339 0.4797 0.082 Uiso 1 1 calc R . .
C5 C 0.6280(3) -0.08387(18) 0.4841(3) 0.0618(10) Uani 1 1 d . . .
C6 C 0.5550(3) -0.12624(17) 0.4243(3) 0.0607(9) Uani 1 1 d . . .
C7 C 0.6110(3) -0.06472(19) 0.5964(3) 0.0719(11) Uani 1 1 d . . .
H7 H 0.5338 -0.0569 0.6006 0.086 Uiso 1 1 calc R . .
C8 C 0.6502(4) -0.1196(2) 0.6731(3) 0.0886(13) Uani 1 1 d . . .
H8A H 0.6142 -0.1612 0.6505 0.106 Uiso 1 1 calc R . .
H8B H 0.7272 -0.1259 0.6703 0.106 Uiso 1 1 calc R . .
C10 C 0.4552(3) -0.1517(2) 0.4678(3) 0.0666(10) Uani 1 1 d . . .
C11 C 0.5418(3) -0.2634(2) 0.4948(3) 0.0829(12) Uani 1 1 d . . .
H11A H 0.5594 -0.2812 0.5655 0.099 Uiso 1 1 calc R . .
H11B H 0.6044 -0.2388 0.4763 0.099 Uiso 1 1 calc R . .
C12 C 0.5206(4) -0.3211(2) 0.4189(4) 0.1209(18) Uani 1 1 d . . .
H12A H 0.46 -0.3466 0.4376 0.181 Uiso 1 1 calc R . .
H12B H 0.5834 -0.3494 0.4223 0.181 Uiso 1 1 calc R . .
H12C H 0.5048 -0.3041 0.3483 0.181 Uiso 1 1 calc R . .
C13 C 0.3547(4) -0.2406(2) 0.5423(4) 0.0981(14) Uani 1 1 d . . .
H13A H 0.3399 -0.2866 0.5202 0.118 Uiso 1 1 calc R . .
H13B H 0.293 -0.2135 0.5157 0.118 Uiso 1 1 calc R . .
C14 C 0.3686(4) -0.2375(3) 0.6608(4) 0.1211(17) Uani 1 1 d . . .
H14A H 0.4277 -0.2659 0.6876 0.182 Uiso 1 1 calc R . .
H14B H 0.3034 -0.2525 0.6876 0.182 Uiso 1 1 calc R . .
H14C H 0.3837 -0.1921 0.6831 0.182 Uiso 1 1 calc R . .
C15 C 0.2729(4) -0.1735(4) 0.2271(5) 0.198(4) Uani 1 1 d . . .
H15A H 0.2587 -0.2203 0.2368 0.298 Uiso 1 1 calc R . .
H15B H 0.2155 -0.1543 0.1801 0.298 Uiso 1 1 calc R . .
H15C H 0.2772 -0.151 0.2941 0.298 Uiso 1 1 calc R . .
C16 C 0.4260(6) -0.0759(3) 0.1288(6) 0.197(4) Uani 1 1 d . . .
H16A H 0.4473 -0.0493 0.1904 0.296 Uiso 1 1 calc R . .
H16B H 0.3601 -0.0584 0.0929 0.296 Uiso 1 1 calc R . .
H16C H 0.4818 -0.0746 0.0823 0.296 Uiso 1 1 calc R . .
C17 C 0.4115(4) -0.2253(3) 0.0610(3) 0.0951(14) Uani 1 1 d . . .
C18 C 0.3972(7) -0.2951(3) 0.0978(5) 0.197(4) Uani 1 1 d . . .
H18A H 0.3888 -0.3247 0.0381 0.296 Uiso 1 1 calc R . .
H18B H 0.3339 -0.2974 0.1348 0.296 Uiso 1 1 calc R . .
H18C H 0.4595 -0.3082 0.1444 0.296 Uiso 1 1 calc R . .
C19 C 0.3242(5) -0.2101(4) -0.0311(4) 0.173(3) Uani 1 1 d . . .
H19A H 0.315 -0.2485 -0.0768 0.26 Uiso 1 1 calc R . .
H19B H 0.3461 -0.1723 -0.0703 0.26 Uiso 1 1 calc R . .
H19C H 0.257 -0.2002 -0.0036 0.26 Uiso 1 1 calc R . .
C20 C 0.5239(5) -0.2183(4) 0.0186(5) 0.187(3) Uani 1 1 d . . .
H20A H 0.579 -0.2355 0.0702 0.28 Uiso 1 1 calc R . .
H20B H 0.5379 -0.1719 0.0055 0.28 Uiso 1 1 calc R . .
H20C H 0.5239 -0.2432 -0.0459 0.28 Uiso 1 1 calc R . .
C21 C 0.7508(6) 0.0757(3) 0.2681(6) 0.203(4) Uani 1 1 d . . .
H21A H 0.6761 0.0636 0.252 0.305 Uiso 1 1 calc R . .
H21B H 0.7647 0.1169 0.233 0.305 Uiso 1 1 calc R . .
H21C H 0.7667 0.0813 0.3431 0.305 Uiso 1 1 calc R . .
C22 C 0.7885(5) -0.0139(3) 0.0819(4) 0.153(2) Uani 1 1 d . . .
H22A H 0.8249 -0.0538 0.0626 0.23 Uiso 1 1 calc R . .
H22B H 0.8041 0.0222 0.0359 0.23 Uiso 1 1 calc R . .
H22C H 0.7119 -0.0218 0.0752 0.23 Uiso 1 1 calc R . .
C23 C 0.9819(4) 0.0305(3) 0.2320(4) 0.1055(16) Uani 1 1 d . . .
C24 C 1.0476(4) -0.0275(3) 0.1975(5) 0.147(2) Uani 1 1 d . . .
H24A H 1.0217 -0.0397 0.1263 0.22 Uiso 1 1 calc R . .
H24B H 1.0405 -0.065 0.2435 0.22 Uiso 1 1 calc R . .
H24C H 1.1223 -0.0146 0.2008 0.22 Uiso 1 1 calc R . .
C25 C 0.9992(5) 0.0924(3) 0.1655(5) 0.146(2) Uani 1 1 d . . .
H25A H 1.075 0.1025 0.1701 0.219 Uiso 1 1 calc R . .
H25B H 0.961 0.1297 0.1914 0.219 Uiso 1 1 calc R . .
H25C H 0.9724 0.0838 0.0932 0.219 Uiso 1 1 calc R . .
C26 C 1.0202(6) 0.0466(4) 0.3528(5) 0.194(3) Uani 1 1 d . . .
H26A H 1.0133 0.007 0.3945 0.291 Uiso 1 1 calc R . .
H26B H 0.976 0.0816 0.377 0.291 Uiso 1 1 calc R . .
H26C H 1.0944 0.0608 0.3598 0.291 Uiso 1 1 calc R . .
N1 N 0.4512(2) -0.21665(16) 0.4962(2) 0.0734(9) Uani 1 1 d . . .
O1 O 0.5025(2) -0.18400(13) 0.26201(19) 0.0765(8) Uani 1 1 d . . .
O2 O 0.82913(19) -0.05772(13) 0.2979(2) 0.0789(8) Uani 1 1 d . . .
O3 O 0.6697(2) -0.00647(13) 0.6305(2) 0.0862(8) Uani 1 1 d . . .
H3 H 0.643 0.0262 0.5984 0.129 Uiso 1 1 calc R . .
O4 O 0.3786(2) -0.11315(13) 0.4764(2) 0.0811(8) Uani 1 1 d . . .
Si1 Si 0.83653(10) 0.00900(7) 0.22276(11) 0.0970(5) Uani 1 1 d . . .
Si2 Si 0.40422(11) -0.16355(7) 0.16895(11) 0.0987(5) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C9 C8 1.514(6) . ?
C9 H9A 0.96 . ?
C9 H9B 0.96 . ?
C9 H9C 0.96 . ?
C1 O1 1.378(4) . ?
C1 C2 1.392(5) . ?
C1 C6 1.388(5) . ?
C2 C3 1.372(5) . ?
C2 H2 0.93 . ?
C3 O2 1.377(4) . ?
C3 C4 1.381(5) . ?
C4 C5 1.381(5) . ?
C4 H4 0.93 . ?
C5 C6 1.403(5) . ?
C5 C7 1.515(5) . ?
C6 C10 1.500(5) . ?
C7 O3 1.415(4) . ?
C7 C8 1.512(5) . ?
C7 H7 0.98 . ?
C8 H8A 0.97 . ?
C8 H8B 0.97 . ?
C10 O4 1.237(4) . ?
C10 N1 1.348(4) . ?
C11 N1 1.464(5) . ?
C11 C12 1.508(6) . ?
C11 H11A 0.97 . ?
C11 H11B 0.97 . ?
C12 H12A 0.96 . ?
C12 H12B 0.96 . ?
C12 H12C 0.96 . ?
C13 N1 1.471(5) . ?
C13 C14 1.501(6) . ?
C13 H13A 0.97 . ?
C13 H13B 0.97 . ?
C14 H14A 0.96 . ?
C14 H14B 0.96 . ?
C14 H14C 0.96 . ?
C15 Si2 1.874(6) . ?
C15 H15A 0.96 . ?
C15 H15B 0.96 . ?
C15 H15C 0.96 . ?
C16 Si2 1.849(6) . ?
C16 H16A 0.96 . ?
C16 H16B 0.96 . ?
C16 H16C 0.96 . ?
C17 C18 1.486(7) . ?
C17 C19 1.539(6) . ?
C17 C20 1.557(7) . ?
C17 Si2 1.854(5) . ?
C18 H18A 0.96 . ?
C18 H18B 0.96 . ?
C18 H18C 0.96 . ?
C19 H19A 0.96 . ?
C19 H19B 0.96 . ?
C19 H19C 0.96 . ?
C20 H20A 0.96 . ?
C20 H20B 0.96 . ?
C20 H20C 0.96 . ?
C21 Si1 1.836(6) . ?
C21 H21A 0.96 . ?
C21 H21B 0.96 . ?
C21 H21C 0.96 . ?
C22 Si1 1.884(5) . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
C23 C24 1.508(7) . ?
C23 C25 1.523(6) . ?
C23 C26 1.591(7) . ?
C23 Si1 1.850(5) . ?
C24 H24A 0.96 . ?
C24 H24B 0.96 . ?
C24 H24C 0.96 . ?
C25 H25A 0.96 . ?
C25 H25B 0.96 . ?
C25 H25C 0.96 . ?
C26 H26A 0.96 . ?
C26 H26B 0.96 . ?
C26 H26C 0.96 . ?
O1 Si2 1.658(3) . ?
O2 Si1 1.646(3) . ?
O3 H3 0.82 . ?

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 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C1 C2 118.9(4) . . ?
O1 C1 C6 119.8(3) . . ?
C2 C1 C6 121.3(4) . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
O2 C3 C2 119.4(4) . . ?
O2 C3 C4 120.2(4) . . ?
C2 C3 C4 120.4(4) . . ?
C5 C4 C3 121.4(4) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 118.8(3) . . ?
C4 C5 C7 120.1(3) . . ?
C6 C5 C7 121.0(3) . . ?
C1 C6 C5 119.2(3) . . ?
C1 C6 C10 119.7(3) . . ?
C5 C6 C10 121.1(3) . . ?
O3 C7 C8 106.1(3) . . ?
O3 C7 C5 112.2(3) . . ?
C8 C7 C5 111.0(3) . . ?
O3 C7 H7 109.2 . . ?
C8 C7 H7 109.2 . . ?
C5 C7 H7 109.2 . . ?
C9 C8 C7 114.2(4) . . ?
C9 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
O4 C10 N1 121.5(4) . . ?
O4 C10 C6 119.9(3) . . ?
N1 C10 C6 118.6(3) . . ?
N1 C11 C12 114.3(3) . . ?
N1 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
N1 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 112.1(4) . . ?
N1 C13 H13A 109.2 . . ?
C14 C13 H13A 109.2 . . ?
N1 C13 H13B 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
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 . . ?
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 . . ?
C18 C17 C19 109.0(5) . . ?
C18 C17 C20 109.6(5) . . ?
C19 C17 C20 107.8(5) . . ?
C18 C17 Si2 111.8(4) . . ?
C19 C17 Si2 110.3(4) . . ?
C20 C17 Si2 108.3(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C25 110.3(4) . . ?
C24 C23 C26 108.7(5) . . ?
C25 C23 C26 109.2(5) . . ?
C24 C23 Si1 111.1(4) . . ?
C25 C23 Si1 110.3(4) . . ?
C26 C23 Si1 107.3(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C10 N1 C11 124.0(3) . . ?
C10 N1 C13 118.3(3) . . ?
C11 N1 C13 117.4(3) . . ?
C1 O1 Si2 128.7(2) . . ?
C3 O2 Si1 125.2(2) . . ?
C7 O3 H3 109.5 . . ?
O2 Si1 C21 109.4(2) . . ?
O2 Si1 C23 105.43(19) . . ?
C21 Si1 C23 114.1(3) . . ?
O2 Si1 C22 108.9(2) . . ?
C21 Si1 C22 109.8(4) . . ?
C23 Si1 C22 109.0(3) . . ?
O1 Si2 C16 108.1(2) . . ?
O1 Si2 C17 105.94(18) . . ?
C16 Si2 C17 113.8(3) . . ?
O1 Si2 C15 107.4(3) . . ?
C16 Si2 C15 111.6(4) . . ?
C17 Si2 C15 109.6(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
O1 C1 C2 C3 -178.8(3) . . . . ?
C6 C1 C2 C3 -1.6(5) . . . . ?
C1 C2 C3 O2 179.2(3) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
O2 C3 C4 C5 -178.8(3) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C3 C4 C5 C6 0.7(5) . . . . ?
C3 C4 C5 C7 178.4(3) . . . . ?
O1 C1 C6 C5 -180.0(3) . . . . ?
C2 C1 C6 C5 2.8(5) . . . . ?
O1 C1 C6 C10 -2.6(5) . . . . ?
C2 C1 C6 C10 -179.8(3) . . . . ?
C4 C5 C6 C1 -2.4(5) . . . . ?
C7 C5 C6 C1 180.0(3) . . . . ?
C4 C5 C6 C10 -179.7(3) . . . . ?
C7 C5 C6 C10 2.6(5) . . . . ?
C4 C5 C7 O3 21.7(5) . . . . ?
C6 C5 C7 O3 -160.6(3) . . . . ?
C4 C5 C7 C8 -96.7(4) . . . . ?
C6 C5 C7 C8 81.0(4) . . . . ?
O3 C7 C8 C9 61.1(5) . . . . ?
C5 C7 C8 C9 -176.9(4) . . . . ?
C1 C6 C10 O4 -104.5(4) . . . . ?
C5 C6 C10 O4 72.8(5) . . . . ?
C1 C6 C10 N1 75.1(4) . . . . ?
C5 C6 C10 N1 -107.6(4) . . . . ?
O4 C10 N1 C11 -175.5(4) . . . . ?
C6 C10 N1 C11 4.9(5) . . . . ?
O4 C10 N1 C13 -2.6(6) . . . . ?
C6 C10 N1 C13 177.9(3) . . . . ?
C12 C11 N1 C10 -116.9(4) . . . . ?
C12 C11 N1 C13 70.1(5) . . . . ?
C14 C13 N1 C10 -93.3(5) . . . . ?
C14 C13 N1 C11 80.2(5) . . . . ?
C2 C1 O1 Si2 -82.7(4) . . . . ?
C6 C1 O1 Si2 100.1(4) . . . . ?
C2 C3 O2 Si1 85.2(4) . . . . ?
C4 C3 O2 Si1 -95.4(4) . . . . ?
C3 O2 Si1 C21 37.0(5) . . . . ?
C3 O2 Si1 C23 160.2(3) . . . . ?
C3 O2 Si1 C22 -83.0(4) . . . . ?
C24 C23 Si1 O2 57.7(4) . . . . ?
C25 C23 Si1 O2 -179.7(4) . . . . ?
C26 C23 Si1 O2 -60.9(4) . . . . ?
C24 C23 Si1 C21 177.8(4) . . . . ?
C25 C23 Si1 C21 -59.7(5) . . . . ?
C26 C23 Si1 C21 59.2(5) . . . . ?
C24 C23 Si1 C22 -59.1(4) . . . . ?
C25 C23 Si1 C22 63.5(5) . . . . ?
C26 C23 Si1 C22 -177.7(4) . . . . ?
C1 O1 Si2 C16 15.6(5) . . . . ?
C1 O1 Si2 C17 137.9(3) . . . . ?
C1 O1 Si2 C15 -105.0(4) . . . . ?
C18 C17 Si2 O1 59.5(5) . . . . ?
C19 C17 Si2 O1 -179.1(4) . . . . ?
C20 C17 Si2 O1 -61.4(4) . . . . ?
C18 C17 Si2 C16 178.1(5) . . . . ?
C19 C17 Si2 C16 -60.5(5) . . . . ?
C20 C17 Si2 C16 57.3(5) . . . . ?
C18 C17 Si2 C15 -56.1(6) . . . . ?
C19 C17 Si2 C15 65.3(5) . . . . ?
C20 C17 Si2 C15 -177.0(4) . . . . ?

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
O3 H3 O4 0.82 1.98 2.779(4) 164 3_656

# END of CIF
