Information card for entry 1558724

Structure parameters

• Chemical name: 3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one
• Formula: C21 H15 F N2 O4 S
• Calculated formula: C21 H15 F N2 O4 S
• Title of publication: 3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one
• Authors of publication: Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x201028
• a: 9.8726 ± 0.0004 Å
• b: 15.8054 ± 0.0007 Å
• c: 11.8345 ± 0.0004 Å
• α: 90°
• β: 94.679 ± 0.001°
• γ: 90°
• Cell volume: 1840.51 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes