Information card for entry 7217609

Structure parameters

• Formula: C11 H10 Br N O3
• Calculated formula: C11 H10 Br N O3
• SMILES: Brc1cc2c(cc1)N(C(=O)C2(C)OC=O)C
• Title of publication: Visible-light-induced photocatalytic formyloxylation reactions of 3-bromooxindoles with water and DMF: the scope and mechanism
• Authors of publication: Zou, You-Quan; Guo, Wei; Liu, Feng-Lei; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Green Chemistry
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 3787
• a: 12.936 ± 0.003 Å
• b: 12.022 ± 0.002 Å
• c: 14.578 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215812
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No