Information card for entry 7155402

Structure parameters

• Formula: C15 H11 N O4 S
• Calculated formula: C15 H11 N O4 S
• SMILES: S1(=O)(=O)N(C(=O)c2c1cccc2)C(=O)c1ccc(cc1)C
• Title of publication: Rhodium-catalyzed C-H functionalization with N-acylsaccharins.
• Authors of publication: Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 536 - 540
• a: 10.8402 ± 0.0018 Å
• b: 10.9776 ± 0.0018 Å
• c: 11.4168 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1358.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No