Information card for entry 2218939

Structure parameters

• Common name: Tetra-<i>O</i>-4-methylphenylsulfonylpentaerythritol
• Chemical name: methanetetrayltetramethylene tetra-p-toluenesulfonate
• Formula: C33 H36 O12 S4
• Calculated formula: C33 H36 O12 S4
• SMILES: S(=O)(=O)(OCC(COS(=O)(=O)c1ccc(cc1)C)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Tetra-<i>O</i>-4-methylphenylsulfonylpentaerythritol
• Authors of publication: Li, Shu-Xian; Zhu, 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: o1474 - o1475
• a: 13.2983 ± 0.0002 Å
• b: 18.0368 ± 0.0002 Å
• c: 15.4181 ± 0.0002 Å
• α: 90°
• β: 110.653 ± 0.001°
• γ: 90°
• Cell volume: 3460.5 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes