Information card for entry 2218864

Structure parameters

• Common name: <i>O</i>-(<i>tert</i>-Butyldimethylsilyl)tris(<i>O</i>-4- methylphenylsulfonyl)pentaerythritol
• Chemical name: (<i>tert</i>-butyldimethylsilyl)methanetriyl tris(4-methylbenzenesulfonate)
• Formula: C32 H44 O10 S3 Si
• Calculated formula: C32 H44 O10 S3 Si
• SMILES: S(=O)(=O)(OCC(COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C
• Title of publication: <i>O</i>-(<i>tert</i>-Butyldimethylsilyl)tris(<i>O</i>-4-methylphenylsulfonyl)pentaerythritol
• Authors of publication: Li, Shu-Xian; Li, Hua-Min; Lu, Zhong-Lin; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1472 - o1473
• a: 19.0551 ± 0.0003 Å
• b: 16.4726 ± 0.0003 Å
• c: 11.6751 ± 0.0002 Å
• α: 90°
• β: 100.425 ± 0.001°
• γ: 90°
• Cell volume: 3604.17 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes