Information card for entry 7133986

Structure parameters

• Formula: C26 H22 Br2 Cl N3 O2
• Calculated formula: C26 H22 Br2 Cl N3 O2
• Title of publication: Atroposelective Synthesis of Axially Chiral Indolizinylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction
• Authors of publication: Zhan, Wenyan; Hu, Jiameng; Chen, Xiaoyun; Luo, Gen; Song, Xiaoxiao
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 9.9201 ± 0.0004 Å
• b: 12.9585 ± 0.0005 Å
• c: 20.1488 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2590.12 ± 0.17 ų
• Cell temperature: 296.15 ± 0.1 K
• Ambient diffraction temperature: 296.15 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No