Information card for entry 2214495

Structure parameters

• Common name: 1,1,1-Tris(benzenesulfonyloxymethyl)ethane
• Chemical name: 1,1,1-Tris(phenylsulfonyloxymethyl)ethane
• Formula: C23 H24 O9 S3
• Calculated formula: C23 H24 O9 S3
• SMILES: CC(COS(=O)(=O)c1ccccc1)(COS(=O)(=O)c1ccccc1)COS(=O)(=O)c1ccccc1
• Title of publication: 1,1,1-Tris(phenylsulfonyloxymethyl)ethane
• Authors of publication: Fujihara, Takashi; Shioji, Eri; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3628 - o3628
• a: 5.8962 ± 0.0005 Å
• b: 14.665 ± 0.0014 Å
• c: 15.1812 ± 0.0014 Å
• α: 69.164 ± 0.002°
• β: 85.096 ± 0.003°
• γ: 87.685 ± 0.002°
• Cell volume: 1222.28 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes