Information card for entry 1555249

Structure parameters

• Formula: C40 H34 Br N3 O3
• Calculated formula: C40 H34 Br N3 O3
• SMILES: Brc1ccc2n(cc([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)[C@H](Nc3ccccc3)C(=O)OCC)c2c1)Cc1ccccc1
• Title of publication: Catalytic Asymmetric Four-Component Reaction for the Rapid Construction of 3,3-Disubstituted 3-Indol-3'-yloxindoles.
• Authors of publication: Jing, Changcheng; Xing, Dong; Hu, Wenhao
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4336 - 4339
• a: 12.8306 ± 0.0006 Å
• b: 13.8096 ± 0.0006 Å
• c: 19.054 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3376.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No