Information card for entry 7226028

Structure parameters

• Formula: C23 H16 Br Cl N2 O2
• Calculated formula: C23 H16 Br Cl N2 O2
• SMILES: [C@@H]1(c2cc(ccc2N(C(=O)C)[C@@]21c1ccccc1C(=O)N2c1ccccc1)Cl)Br.[C@H]1(c2cc(ccc2N(C(=O)C)[C@]21c1ccccc1C(=O)N2c1ccccc1)Cl)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: 17.3513 ± 0.0003 Å
• b: 14.2331 ± 0.0002 Å
• c: 15.8822 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3922.31 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No