Information card for entry 4500083

Structure parameters

• Common name: tetrakis(4-hydroxyphenyl)silane - water clathrate
• Formula: C24 H22 O5 Si
• Calculated formula: C24 H22 O5 Si
• SMILES: [Si](c1ccc(cc1)O)(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O.O
• Title of publication: Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane
• Authors of publication: Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2003
• Journal volume: 2
• Pages of publication: 535 - 540
• a: 14.962 ± 0.009 Å
• b: 15.855 ± 0.011 Å
• c: 19.697 ± 0.013 Å
• α: 90°
• β: 111.49 ± 0.05°
• γ: 90°
• Cell volume: 4348 ± 5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No