Information card for entry 7158109

Structure parameters

• Formula: C28 H24 Br N O5
• Calculated formula: C28 H24 Br N O5
• Title of publication: Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.
• Authors of publication: Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5836 - 5843
• a: 7.217 ± 0.0007 Å
• b: 15.068 ± 0.0014 Å
• c: 23.762 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No