Information card for entry 7124915

Structure parameters

• Formula: C28 H23 Br N2 O2
• Calculated formula: C28 H23 Br N2 O2
• Title of publication: Rh-Catalyzed annulations of N-methoxybenzamides with ketenimines: synthesis of 3-aminoisoindolinones and 3-diarylmethyleneisoindolinones with strong aggregation induced emission properties.
• Authors of publication: Zhou, Xiaorong; Peng, Zhixing; Zhao, Hongyang; Zhang, Zhiyin; Lu, Ping; Wang, Yanguang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 70
• Pages of publication: 10676 - 10679
• a: 8.1067 ± 0.0003 Å
• b: 15.997 ± 0.0007 Å
• c: 18.8373 ± 0.0007 Å
• α: 90°
• β: 99.636 ± 0.004°
• γ: 90°
• Cell volume: 2408.41 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.394
• Weighted residual factors for all reflections included in the refinement: 0.3992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.839
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No