Information card for entry 7128821

Structure parameters

• Formula: C31 H26 Cl3 N3 O6
• Calculated formula: C31 H26 Cl3 N3 O6
• Title of publication: Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.
• Authors of publication: Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 74
• Pages of publication: 9402 - 9405
• a: 8.9528 ± 0.0003 Å
• b: 12.4499 ± 0.0005 Å
• c: 26.0558 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2904.2 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0721
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No