Information card for entry 7158108

Structure parameters

• Formula: C32 H26 Br N O4.5
• Calculated formula: C32 H26 Br N O4.5
• 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: 7.179 ± 0.002 Å
• b: 15.131 ± 0.006 Å
• c: 26.209 ± 0.011 Å
• α: 90°
• β: 92.737 ± 0.016°
• γ: 90°
• Cell volume: 2843.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1774
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.3476
• Weighted residual factors for all reflections included in the refinement: 0.3844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No