Information card for entry 7116405

Structure parameters

• Formula: C21 H19 Br N3 O3
• Calculated formula: C21 H19 Br N3 O3
• SMILES: Brc1ccc([C@@H](CN(=O)=O)[C@]2(c3c(cccc3)N(C2=O)C)n2cccc2)cc1
• Title of publication: 3-Pyrrolyl-oxindoles as efficient nucleophiles for organocatalytic asymmetric synthesis of structurally diverse 3,3'-disubstituted oxindole derivatives
• Authors of publication: Bao-Dong Cui; Yong You; Jian-Qiang Zhao; Jian Zuo; Zhi-Jun Wu; Xiao-Ying Xu; Xiao-Mei Zhang; Wei-Cheng Yuan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 757
• a: 19.7543 ± 0.0007 Å
• b: 6.8067 ± 0.0003 Å
• c: 15.8605 ± 0.0004 Å
• α: 90°
• β: 98.736 ± 0.004°
• γ: 90°
• Cell volume: 2107.89 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No