Information card for entry 7154345

Structure parameters

• Chemical name: tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate
• Formula: C25 H25 N3 O5
• Calculated formula: C25 H25 N3 O5
• SMILES: c1(ccccc1)N1C(=O)C=C(C1=O)[C@@]1(C(=O)N(CC)c2c1cccc2)NC(=O)OC(C)(C)C
• Title of publication: Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.
• Authors of publication: Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5629 - 5635
• a: 10.903 ± 0.004 Å
• b: 8.978 ± 0.003 Å
• c: 13.171 ± 0.005 Å
• α: 90°
• β: 108.452 ± 0.012°
• γ: 90°
• Cell volume: 1223 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No