data_2012838
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  o409
_journal_page_last  o415
_publ_section_title
;
Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct
(Ph~3~SiOH)~2~.dimethyl sulfoxide, both at 120 K, and the adduct
(Ph~3~SiOH)~4~.1,4-dioxan at 150 K: interplay of O-H...O and C-H...\p(arene)
interactions
;
loop_
_publ_author_name
  'Bowes, Katharine F.'
  'Glidewell, Christopher'
  'Low, John N.'
_chemical_formula_moiety  '4C18 H16 O Si , C4 H8 O2'
_chemical_formula_sum  'C76 H72 O6 Si4'
_chemical_formula_weight  1193.7
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  9.3033(3)
_cell_length_b  11.6929(5)
_cell_length_c  14.7154(6)
_cell_angle_alpha  87.730(3)
_cell_angle_beta  80.906(3)
_cell_angle_gamma  87.8040(17)
_cell_volume  1578.58(11)
_cell_formula_units_Z  1
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.256
_diffrn_ambient_temperature  150(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Si1 0.27732(10) 0.10122(7) 0.76082(6) 0.0226(2) Uani d . 1 . . Si
  O1 0.2923(2) 0.20363(17) 0.68115(15) 0.0277(5) Uani d . 1 . . O
  C111 0.4059(3) -0.0142(3) 0.7120(2) 0.0222(7) Uani d . 1 . . C
  C112 0.4038(4) -0.1233(3) 0.7558(2) 0.0272(8) Uani d . 1 . . C
  C113 0.4976(4) -0.2119(3) 0.7199(3) 0.0333(9) Uani d . 1 . . C
  C114 0.5945(4) -0.1940(3) 0.6399(3) 0.0357(9) Uani d . 1 . . C
  C115 0.5982(4) -0.0871(3) 0.5952(2) 0.0338(9) Uani d . 1 . . C
  C116 0.5053(4) 0.0005(3) 0.6322(2) 0.0293(8) Uani d . 1 . . C
  C121 0.3257(3) 0.1517(3) 0.8704(2) 0.0231(7) Uani d . 1 . . C
  C122 0.4503(4) 0.1123(3) 0.9049(2) 0.0268(8) Uani d . 1 . . C
  C123 0.4888(4) 0.1556(3) 0.9833(2) 0.0299(8) Uani d . 1 . . C
  C124 0.4028(4) 0.2396(3) 1.0304(2) 0.0311(8) Uani d . 1 . . C
  C125 0.2771(4) 0.2798(3) 0.9991(2) 0.0312(8) Uani d . 1 . . C
  C126 0.2392(4) 0.2356(3) 0.9202(2) 0.0294(8) Uani d . 1 . . C
  C131 0.0890(3) 0.0453(2) 0.7808(2) 0.0237(8) Uani d . 1 . . C
  C132 -0.0015(4) 0.0372(3) 0.8652(2) 0.0286(8) Uani d . 1 . . C
  C133 -0.1378(4) -0.0093(3) 0.8738(3) 0.0343(9) Uani d . 1 . . C
  C134 -0.1869(4) -0.0510(3) 0.7971(3) 0.0340(9) Uani d . 1 . . C
  C135 -0.0974(4) -0.0453(3) 0.7131(3) 0.0328(9) Uani d . 1 . . C
  C136 0.0377(4) 0.0021(3) 0.7049(2) 0.0295(8) Uani d . 1 . . C
  Si2 0.07155(10) 0.53137(7) 0.71849(6) 0.0241(2) Uani d . 1 . . Si
  O2 0.1888(2) 0.42805(17) 0.68268(15) 0.0293(6) Uani d . 1 . . O
  C211 -0.1096(4) 0.4660(3) 0.7500(2) 0.0251(8) Uani d . 1 . . C
  C212 -0.1283(4) 0.3487(3) 0.7417(2) 0.0323(9) Uani d . 1 . . C
  C213 -0.2636(4) 0.3014(3) 0.7657(3) 0.0359(9) Uani d . 1 . . C
  C214 -0.3841(4) 0.3692(3) 0.7985(2) 0.0339(9) Uani d . 1 . . C
  C215 -0.3685(4) 0.4853(3) 0.8080(2) 0.0312(8) Uani d . 1 . . C
  C216 -0.2332(4) 0.5327(3) 0.7834(2) 0.0277(8) Uani d . 1 . . C
  C221 0.0672(3) 0.6439(3) 0.6255(2) 0.0224(7) Uani d . 1 . . C
  C222 -0.0332(4) 0.6457(3) 0.5641(2) 0.0293(8) Uani d . 1 . . C
  C223 -0.0263(4) 0.7264(3) 0.4921(2) 0.0376(9) Uani d . 1 . . C
  C224 0.0819(4) 0.8054(3) 0.4791(2) 0.0383(9) Uani d . 1 . . C
  C225 0.1831(4) 0.8056(3) 0.5385(2) 0.0320(8) Uani d . 1 . . C
  C226 0.1741(4) 0.7263(3) 0.6116(2) 0.0268(8) Uani d . 1 . . C
  C231 0.1296(3) 0.5954(3) 0.8200(2) 0.0262(8) Uani d . 1 . . C
  C232 0.0722(4) 0.7007(3) 0.8523(2) 0.0299(8) Uani d . 1 . . C
  C233 0.1078(4) 0.7439(3) 0.9325(2) 0.0332(9) Uani d . 1 . . C
  C234 0.2014(4) 0.6829(3) 0.9811(3) 0.0354(9) Uani d . 1 . . C
  C235 0.2625(4) 0.5806(3) 0.9499(3) 0.0402(10) Uani d . 1 . . C
  C236 0.2261(4) 0.5368(3) 0.8700(2) 0.0325(9) Uani d . 1 . . C
  O4 0.3679(2) 0.44151(18) 0.52020(16) 0.0302(6) Uani d . 1 . . O
  C41 0.5053(4) 0.3848(3) 0.5268(3) 0.0314(8) Uani d . 1 . . C
  C42 0.3857(4) 0.5331(3) 0.4514(2) 0.0321(8) Uani d . 1 . . C
  H1 0.2377 0.2647 0.6978 0.033 Uiso d R 1 . . H
  H112 0.3373 -0.1369 0.8109 0.033 Uiso calc R 1 . . H
  H113 0.4948 -0.2850 0.7506 0.040 Uiso calc R 1 . . H
  H114 0.6584 -0.2545 0.6155 0.043 Uiso calc R 1 . . H
  H115 0.6638 -0.0741 0.5397 0.041 Uiso calc R 1 . . H
  H116 0.5100 0.0736 0.6015 0.035 Uiso calc R 1 . . H
  H122 0.5104 0.0540 0.8737 0.032 Uiso calc R 1 . . H
  H123 0.5749 0.1275 1.0048 0.036 Uiso calc R 1 . . H
  H124 0.4298 0.2697 1.0841 0.037 Uiso calc R 1 . . H
  H125 0.2170 0.3373 1.0313 0.037 Uiso calc R 1 . . H
  H126 0.1522 0.2632 0.8995 0.035 Uiso calc R 1 . . H
  H132 0.0308 0.0642 0.9183 0.034 Uiso calc R 1 . . H
  H133 -0.1982 -0.0128 0.9322 0.041 Uiso calc R 1 . . H
  H134 -0.2805 -0.0827 0.8026 0.041 Uiso calc R 1 . . H
  H135 -0.1290 -0.0743 0.6605 0.039 Uiso calc R 1 . . H
  H136 0.0974 0.0055 0.6463 0.035 Uiso calc R 1 . . H
  H2 0.2457 0.4428 0.6302 0.035 Uiso d R 1 . . H
  H212 -0.0466 0.3008 0.7193 0.039 Uiso calc R 1 . . H
  H213 -0.2738 0.2217 0.7595 0.043 Uiso calc R 1 . . H
  H214 -0.4770 0.3365 0.8144 0.041 Uiso calc R 1 . . H
  H215 -0.4506 0.5323 0.8314 0.037 Uiso calc R 1 . . H
  H216 -0.2241 0.6126 0.7894 0.033 Uiso calc R 1 . . H
  H222 -0.1072 0.5908 0.5718 0.035 Uiso calc R 1 . . H
  H223 -0.0964 0.7273 0.4516 0.045 Uiso calc R 1 . . H
  H224 0.0870 0.8599 0.4292 0.046 Uiso calc R 1 . . H
  H225 0.2582 0.8596 0.5293 0.038 Uiso calc R 1 . . H
  H226 0.2422 0.7280 0.6532 0.032 Uiso calc R 1 . . H
  H232 0.0076 0.7437 0.8191 0.036 Uiso calc R 1 . . H
  H233 0.0672 0.8156 0.9536 0.040 Uiso calc R 1 . . H
  H234 0.2238 0.7118 1.0364 0.042 Uiso calc R 1 . . H
  H235 0.3293 0.5395 0.9826 0.048 Uiso calc R 1 . . H
  H236 0.2682 0.4654 0.8491 0.039 Uiso calc R 1 . . H
  H41A 0.5432 0.3485 0.4678 0.038 Uiso calc R 1 . . H
  H41B 0.4915 0.3236 0.5756 0.038 Uiso calc R 1 . . H
  H421 0.2910 0.5740 0.4497 0.039 Uiso calc R 1 . . H
  H422 0.4194 0.5012 0.3901 0.039 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Si1 0.0234(5) 0.0202(5) 0.0241(5) -0.0016(4) -0.0037(4) 0.0014(4)
  O1 0.0349(14) 0.0203(12) 0.0258(13) 0.0031(10) 0.0000(11) 0.0019(9)
  C111 0.0214(18) 0.0216(17) 0.0254(19) -0.0069(13) -0.0087(15) 0.0022(14)
  C112 0.0247(19) 0.0270(19) 0.030(2) -0.0007(15) -0.0045(15) -0.0008(15)
  C113 0.031(2) 0.027(2) 0.046(2) -0.0022(16) -0.0172(19) -0.0005(17)
  C114 0.031(2) 0.034(2) 0.046(2) 0.0050(16) -0.0157(19) -0.0121(18)
  C115 0.028(2) 0.042(2) 0.031(2) 0.0001(17) -0.0026(17) -0.0063(17)
  C116 0.030(2) 0.0283(19) 0.029(2) -0.0013(16) -0.0043(16) 0.0021(15)
  C121 0.0221(19) 0.0184(17) 0.0278(19) -0.0060(14) -0.0011(15) 0.0043(14)
  C122 0.029(2) 0.0201(17) 0.032(2) -0.0031(14) -0.0069(16) 0.0003(14)
  C123 0.034(2) 0.0257(19) 0.033(2) -0.0064(16) -0.0135(17) 0.0059(15)
  C124 0.040(2) 0.031(2) 0.0238(19) -0.0132(17) -0.0075(17) 0.0005(15)
  C125 0.034(2) 0.0231(19) 0.035(2) -0.0041(16) 0.0020(17) -0.0076(15)
  C126 0.030(2) 0.0269(19) 0.032(2) -0.0007(16) -0.0043(16) -0.0021(15)
  C131 0.027(2) 0.0180(17) 0.027(2) 0.0031(14) -0.0072(16) -0.0012(14)
  C132 0.027(2) 0.0278(19) 0.032(2) -0.0035(15) -0.0060(16) -0.0022(15)
  C133 0.034(2) 0.031(2) 0.035(2) -0.0023(17) 0.0021(18) 0.0012(16)
  C134 0.024(2) 0.029(2) 0.051(3) -0.0025(15) -0.0095(18) 0.0016(17)
  C135 0.028(2) 0.034(2) 0.037(2) -0.0023(16) -0.0091(18) 0.0016(16)
  C136 0.030(2) 0.032(2) 0.028(2) -0.0048(16) -0.0070(16) 0.0025(15)
  Si2 0.0259(6) 0.0214(5) 0.0246(5) 0.0009(4) -0.0038(4) -0.0001(4)
  O2 0.0344(14) 0.0231(12) 0.0270(13) 0.0025(10) 0.0039(11) 0.0034(10)
  C211 0.035(2) 0.0194(18) 0.0212(18) 0.0000(15) -0.0077(16) 0.0029(13)
  C212 0.040(2) 0.026(2) 0.029(2) -0.0009(17) 0.0009(17) -0.0002(15)
  C213 0.041(2) 0.027(2) 0.039(2) -0.0098(18) -0.0035(18) 0.0057(16)
  C214 0.033(2) 0.034(2) 0.035(2) -0.0107(17) -0.0069(17) 0.0100(16)
  C215 0.029(2) 0.035(2) 0.030(2) -0.0006(16) -0.0040(16) 0.0015(15)
  C216 0.032(2) 0.0246(18) 0.027(2) -0.0028(16) -0.0058(16) 0.0011(14)
  C221 0.0229(19) 0.0218(17) 0.0224(18) -0.0002(14) -0.0024(15) -0.0061(13)
  C222 0.031(2) 0.0298(19) 0.028(2) -0.0020(15) -0.0044(16) -0.0014(15)
  C223 0.041(2) 0.044(2) 0.030(2) 0.0061(19) -0.0122(18) 0.0015(17)
  C224 0.053(3) 0.031(2) 0.028(2) 0.0028(19) -0.0026(19) 0.0104(16)
  C225 0.038(2) 0.026(2) 0.030(2) -0.0049(16) 0.0024(17) -0.0011(15)
  C226 0.030(2) 0.0246(18) 0.026(2) 0.0010(15) -0.0072(16) -0.0020(14)
  C231 0.0226(19) 0.0273(19) 0.028(2) -0.0030(15) -0.0022(15) 0.0040(14)
  C232 0.030(2) 0.030(2) 0.030(2) -0.0001(16) -0.0080(16) 0.0023(15)
  C233 0.033(2) 0.037(2) 0.029(2) -0.0025(17) 0.0002(17) -0.0098(16)
  C234 0.037(2) 0.042(2) 0.028(2) -0.0165(18) -0.0058(17) -0.0028(17)
  C235 0.044(3) 0.045(2) 0.035(2) -0.0007(19) -0.0194(19) 0.0074(18)
  C236 0.032(2) 0.031(2) 0.035(2) -0.0015(16) -0.0105(17) 0.0030(16)
  O4 0.0270(14) 0.0291(13) 0.0333(14) -0.0031(10) -0.0007(11) 0.0010(10)
  C41 0.025(2) 0.0269(19) 0.039(2) -0.0008(15) 0.0029(16) -0.0004(15)
  C42 0.034(2) 0.036(2) 0.027(2) -0.0069(16) -0.0077(17) 0.0073(15)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Si1 O1 . 1.636(2) y
  Si1 C111 . 1.857(3) no
  Si1 C121 . 1.865(3) no
  Si1 C131 . 1.869(3) no
  O1 H1 . 0.8800 no
  C111 C116 . 1.385(5) no
  C111 C112 . 1.406(4) no
  C112 C113 . 1.394(5) no
  C112 H112 . 0.9500 no
  C113 C114 . 1.378(5) no
  C113 H113 . 0.9500 no
  C114 C115 . 1.388(5) no
  C114 H114 . 0.9500 no
  C115 C116 . 1.385(5) no
  C115 H115 . 0.9500 no
  C116 H116 . 0.9500 no
  C121 C122 . 1.393(4) no
  C121 C126 . 1.400(5) no
  C122 C123 . 1.380(5) no
  C122 H122 . 0.9500 no
  C123 C124 . 1.380(5) no
  C123 H123 . 0.9500 no
  C124 C125 . 1.382(5) no
  C124 H124 . 0.9500 no
  C125 C126 . 1.389(5) no
  C125 H125 . 0.9500 no
  C126 H126 . 0.9500 no
  C131 C132 . 1.388(5) no
  C131 C136 . 1.401(4) no
  C132 C133 . 1.385(5) no
  C132 H132 . 0.9500 no
  C133 C134 . 1.394(5) no
  C133 H133 . 0.9500 no
  C134 C135 . 1.377(5) no
  C134 H134 . 0.9500 no
  C135 C136 . 1.379(5) no
  C135 H135 . 0.9500 no
  C136 H136 . 0.9500 no
  Si2 O2 . 1.642(2) y
  Si2 C231 . 1.860(3) no
  Si2 C211 . 1.861(3) no
  Si2 C221 . 1.865(3) no
  O2 H2 . 0.8800 no
  C211 C216 . 1.397(5) no
  C211 C212 . 1.402(4) no
  C212 C213 . 1.383(5) no
  C212 H212 . 0.9500 no
  C213 C214 . 1.382(5) no
  C213 H213 . 0.9500 no
  C214 C215 . 1.385(5) no
  C214 H214 . 0.9500 no
  C215 C216 . 1.384(5) no
  C215 H215 . 0.9500 no
  C216 H216 . 0.9500 no
  C221 C226 . 1.397(4) no
  C221 C222 . 1.397(4) no
  C222 C223 . 1.387(5) no
  C222 H222 . 0.9500 no
  C223 C224 . 1.378(5) no
  C223 H223 . 0.9500 no
  C224 C225 . 1.382(5) no
  C224 H224 . 0.9500 no
  C225 C226 . 1.386(5) no
  C225 H225 . 0.9500 no
  C226 H226 . 0.9500 no
  C231 C236 . 1.391(4) no
  C231 C232 . 1.394(5) no
  C232 C233 . 1.393(5) no
  C232 H232 . 0.9500 no
  C233 C234 . 1.374(5) no
  C233 H233 . 0.9500 no
  C234 C235 . 1.369(5) no
  C234 H234 . 0.9500 no
  C235 C236 . 1.395(5) no
  C235 H235 . 0.9500 no
  C236 H236 . 0.9500 no
  O4 C41 . 1.433(4) no
  O4 C42 . 1.440(4) no
  C41 C42 2_666 1.502(5) no
  C41 H41A . 0.9900 no
  C41 H41B . 0.9900 no
  C42 C41 2_666 1.502(5) no
  C42 H421 . 0.9900 no
  C42 H422 . 0.9900 no