Information card for entry 7226026

Structure parameters

• Formula: C24 H19 Br N2 O2
• Calculated formula: C24 H19 Br N2 O2
• SMILES: [C@H]1(c2ccccc2N([C@]21c1c(C(=O)N2Cc2ccccc2)cccc1)C(=O)C)Br.[C@@H]1(c2ccccc2N([C@@]21c1c(C(=O)N2Cc2ccccc2)cccc1)C(=O)C)Br
• Title of publication: Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives
• Authors of publication: Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.2109 ± 0.0005 Å
• b: 8.7771 ± 0.0005 Å
• c: 16.7382 ± 0.0012 Å
• α: 92.017 ± 0.004°
• β: 100.699 ± 0.004°
• γ: 105.215 ± 0.003°
• Cell volume: 1000.53 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No