Information card for entry 1545651

Structure parameters

• Chemical name: <i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
• Formula: C17 H18 Br N O5
• Calculated formula: C17 H18 Br N O5
• SMILES: Brc1c2NC(=O)[C@@]3(OC(=O)[C@@H]([C@H]3C(=O)OC(C)(C)C)C)c2ccc1
• Title of publication: <i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
• Authors of publication: Meng, Chen-Hong; Xia, Ai-Bao
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170412
• a: 7.704 ± 0.0018 Å
• b: 9.325 ± 0.002 Å
• c: 25.54 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.8 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.1034
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes