Information card for entry 2004113

Structure parameters

• Formula: C25 H23 N O5 S
• Calculated formula: C25 H23 N O5 S
• SMILES: S1(=O)(=O)[C@H]([C@@H](N[C@@H]([C@H]1C(=O)OC)c1ccccc1)c1ccccc1)C(=O)c1ccccc1.S1(=O)(=O)[C@@H]([C@H](N[C@H]([C@@H]1C(=O)OC)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Methyl 6-Benzoyl-3,5-diphenyl-1,4-thiomorpholine-2-carboxylate 1,1-Dioxide
• Authors of publication: Krishnaiah, M.; Jagadeesh Kumar, N.; Bhaskar Reddy, D.; Muralidhar Reddy, M.; Soriano, M.; Chen, Y.-S.; Narasinga Rao, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2426 - 2428
• a: 10.989 ± 0.004 Å
• b: 20.086 ± 0.003 Å
• c: 11.058 ± 0.003 Å
• α: 90°
• β: 110.5 ± 0.3°
• γ: 90°
• Cell volume: 2286 ± 5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No