Information card for entry 8100160

Structure parameters

• Formula: C20 H20 Cl N3 O5 S
• Calculated formula: C20 H20 Cl N3 O5 S
• SMILES: Clc1ccc(S(=O)(=O)NCCN2O[C@H]3[C@@H]([C@@H]2c2ccccc2)C(=O)N(C3=O)C)cc1.Clc1ccc(S(=O)(=O)NCCN2O[C@@H]3[C@H]([C@H]2c2ccccc2)C(=O)N(C3=O)C)cc1
• Title of publication: Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro- pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, C~20~H~20~ClN~3~O~5~S
• Authors of publication: Dondas, H. Ali; Arslan, Hakan; Thornton-Pett, Mark
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 363 - 364
• a: 39.856 ± 0.004 Å
• b: 19.0577 ± 0.0012 Å
• c: 10.5849 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8039.8 ± 1.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1726
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No