Information card for entry 7226442

Structure parameters

• Common name: 7-Br
• Chemical name: tert-butyl (7-bromo-3-(2,4-dioxopentan-3-yl)-1-methyl-2-oxoindolin-3-yl)carbamate
• Formula: C19 H23 Br N2 O5
• Calculated formula: C19 H23 Br N2 O5
• SMILES: Brc1cccc2[C@](NC(=O)OC(C)(C)C)(C(=O)N(c12)C)C(C(=O)C)C(=O)C
• Title of publication: Asymmetric Mannich Reaction: Highly Enantioselective Synthesis of 3-Amino-oxindoles via Chiral Squaramide Based H-bond Donor Catalysis
• Authors of publication: Trivedi, Rajiv; Kadiyala, Srinivasa Rao; Pambala, Ramesh; Chowhan, Raju
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.9423 ± 0.0008 Å
• b: 10.7137 ± 0.001 Å
• c: 10.449 ± 0.0009 Å
• α: 90°
• β: 94.596 ± 0.003°
• γ: 90°
• Cell volume: 997.85 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No