Information card for entry 2010282

Structure parameters

• Formula: C21 H18 O3 S
• Calculated formula: C21 H18 O3 S
• SMILES: S1(=O)(=O)OC(CC1(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide
• Authors of publication: Hellier, D. G.; Motevalli, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1968 - 1969
• a: 12.614 ± 0.004 Å
• b: 10.581 ± 0.004 Å
• c: 12.927 ± 0.004 Å
• α: 90°
• β: 95.62 ± 0.02°
• γ: 90°
• Cell volume: 1717.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.1566
• Weighted residual factors for significantly intense reflections: 0.1459
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.179
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No