Information card for entry 2012838

Structure parameters

• Chemical name: Tetrakis(triphenylsilanol) 1,4-dioxan solvate
• Formula: C76 H72 O6 Si4
• Calculated formula: C76 H72 O6 Si4
• SMILES: O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCOCC1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetrameric triphenylsilanol, (Ph~3~SiOH)~4~, and the adduct (Ph~3~SiOH)~2~‒dimethyl sulfoxide, both at 120K, and the adduct (Ph~3~SiOH)~4~‒1,4-dioxan at 150K: interplay of O—H···O and C—H···π(arene) interactions
• Authors of publication: Bowes, Katharine F.; Glidewell, Christopher; Low, John N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o409 - o415
• a: 9.3033 ± 0.0003 Å
• b: 11.6929 ± 0.0005 Å
• c: 14.7154 ± 0.0006 Å
• α: 87.73 ± 0.003°
• β: 80.906 ± 0.003°
• γ: 87.804 ± 0.0017°
• Cell volume: 1578.58 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes