Information card for entry 7226030

Structure parameters

• Formula: C28 H22 N2 O
• Calculated formula: C28 H22 N2 O
• SMILES: C(=O)(c1ccccc1n1c(c2ccccc2)cc2ccccc12)Nc1ccccc1C
• 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: 9.8696 ± 0.0005 Å
• b: 10.1071 ± 0.0005 Å
• c: 10.6037 ± 0.0004 Å
• α: 96.056 ± 0.002°
• β: 94.649 ± 0.003°
• γ: 98.442 ± 0.003°
• Cell volume: 1035.43 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No