# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# 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. 
# 
#######################################################################

data_pPOSS_withBG
_database_code_depnum_ccdc_archive 'CCDC 1444929'
_audit_update_record             
;
2015-12-31 deposited with the CCDC.
2016-02-29 downloaded from the CCDC.
;
_audit_creation_method           'generated by CrystalMaker 2.2.4'
_cell_length_a                   8.6423(5)
_cell_length_b                   12.2905(7)
_cell_length_c                   14.1705(8)
_cell_angle_alpha                88.3220(50)
_cell_angle_beta                 89.1810(50)
_cell_angle_gamma                82.8060(50)


loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 C 1.0000 0.8918 0.0146 0.3137 .
C2 C 1.0000 0.9234 0.1092 0.3707 .
C3 C 1.0000 0.6469 0.2952 0.0356 .
C4 C 1.0000 0.6776 0.3937 0.0278 .
C5 C 1.0000 0.1886 0.3022 0.8858 .
C6 C 1.0000 0.2173 0.3362 0.8106 .
C7 C 1.0000 0.4348 0.0293 0.1645 .
C8 C 1.0000 0.4309 0.0395 0.2557 .
C9 C 1.0000 0.3302 0.1869 0.5424 .
C10 C 1.0000 0.4860 0.1875 0.4921 .
C11 C 1.0000 0.7640 0.2579 0.6807 .
C12 C 1.0000 0.6928 0.2788 0.7587 .
C13 C 1.0000 0.8745 0.6465 0.7843 .
C14 C 1.0000 0.8143 0.5980 0.8546 .
C15 C 1.0000 0.5691 0.4230 0.3526 .
C16 C 1.0000 0.5783 0.3679 0.2753 .
H3 H 1.0000 0.5414 0.2836 0.0465 0.1090
H5 H 1.0000 0.2057 0.3524 0.9332 0.1320
H7 H 1.0000 0.5332 0.0236 0.1330 0.0730
H11 H 1.0000 0.7676 0.1855 0.6583 0.0410
H13 H 1.0000 0.8965 0.7193 0.7928 0.0460
H14 H 1.0000 0.6757 0.0925 0.4951 0.0670
H15 H 1.0000 0.4688 0.4476 0.3779 0.0410
H1A H 1.0000 0.7807 0.0046 0.3231 0.0490
H1B H 1.0000 0.9545 0.9480 0.3400 0.0490
H2A H 1.0000 0.0331 0.1226 0.3606 0.0590
H2B H 1.0000 0.8554 0.1758 0.3491 0.0590
H4A H 1.0000 0.7820 0.4080 0.0169 0.2360
H4B H 1.0000 0.5962 0.4529 0.0328 0.2360
H6A H 1.0000 0.2051 0.2940 0.7567 0.2510
H6B H 1.0000 0.2528 0.4061 0.8033 0.2510
H7A H 1.0000 0.8730 0.0262 0.4780 0.0700
H8A H 1.0000 0.3339 0.0453 0.2888 0.0980
H8B H 1.0000 0.5249 0.0412 0.2892 0.0980
H9A H 1.0000 0.3487 0.1742 0.6108 0.0350
H9B H 1.0000 0.2794 0.1248 0.5197 0.0350
H10A H 1.0000 0.4693 0.1985 0.4233 0.0420
H10B H 1.0000 0.5385 0.2489 0.5145 0.0420
H12A H 1.0000 0.6865 0.3501 0.7835 0.0930
H12B H 1.0000 0.6459 0.2229 0.7920 0.0930
H14A H 1.0000 0.7905 0.5251 0.8490 0.0990
H14B H 1.0000 0.7935 0.6350 0.9122 0.0990
H16A H 1.0000 0.6774 0.3426 0.2488 0.0710
H16B H 1.0000 0.4859 0.3530 0.2454 0.0710
O1 O 1.0000 0.8302 0.1242 0.1323 .
O2 O 1.0000 0.9478 0.2112 0.9794 .
O3 O 1.0000 0.2355 0.1286 0.0202 .
O4 O 1.0000 0.1131 0.0296 0.1653 .
O5 O 1.0000 0.8846 0.9106 0.1420 .
O6 O 1.0000 0.2738 0.9145 0.0355 .
O7 O 1.0000 0.8965 0.0900 0.4691 .
O8 O 1.0000 0.0359 0.3070 0.5826 .
O9 O 1.0000 0.8611 0.4676 0.6663 .
O10 O 1.0000 0.8388 0.6659 0.5866 .
O11 O 1.0000 0.7636 0.3850 0.5125 .
O12 O 1.0000 0.7220 0.5838 0.4380 .
O13 O 1.0000 0.8924 0.4261 0.3481 .
O14 O 1.0000 0.5830 0.0855 0.5101 .
Si1 Si 1.0000 0.9311 0.0213 0.1850 .
Si2 Si 1.0000 0.2602 0.0253 0.0941 .
Si3 Si 1.0000 0.1206 0.1803 0.9363 .
Si4 Si 1.0000 0.7917 0.1761 0.0275 .
Si5 Si 1.0000 0.1971 0.3141 0.5249 .
Si6 Si 1.0000 0.8596 0.3559 0.6087 .
Si7 Si 1.0000 0.9213 0.5864 0.6690 .
Si8 Si 1.0000 0.7408 0.4552 0.4144 .

_chemical_name_systematic        para-di(2-hydroxylethyl)hexavinylPOSS
_exptl_crystal_colour            colorless
_exptl_crystal_description       parallelepiped
_symmetry_space_group_name_H-M   P1
_diffrn_ambient_temperature      180
_chemical_formula_moiety         'C16 H28 O14 Si8'
_chemical_formula_sum            'C16 H28 O14 Si8'
_exptl_crystal_recrystallization_method 
'slow evaporation from 1 mg?mL-1 sample solution in a mixed solvent of dichloromethane:ethyl acetate (v/v = 2:1)'
