Information card for entry 7129102

Structure parameters

• Formula: C24 H20 N2 O4 S
• Calculated formula: C24 H20 N2 O4 S
• SMILES: S1(=O)(=O)C2(N=C(c3c1cccc3)c1ccccc1)C(=O)Nc1c2cccc1.O=C(C)C
• Title of publication: A rearrangement of saccharin-derived cyclic ketimines with 3-chlorooxindoles leading to spiro-1,3-benzothiazine oxindoles.
• Authors of publication: Li, Rui-Li; Fang, Qing-Yun; Li, Mei-Yuan; Wang, Xiang-Shan; Zhao, Li-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 86
• Pages of publication: 11322 - 11325
• a: 8.7954 ± 0.0013 Å
• b: 19.899 ± 0.003 Å
• c: 13.0118 ± 0.0018 Å
• α: 90°
• β: 108.107 ± 0.016°
• γ: 90°
• Cell volume: 2164.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No