Information card for entry 1566542

Structure parameters

• Common name: CPOC-302-Pro
• Formula: C492 H528 N48 O60
• Calculated formula: C432 H384 N24 O48
• Title of publication: Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis
• Authors of publication: Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 32.5182 ± 0.0019 Å
• b: 32.5182 ± 0.0019 Å
• c: 51.424 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 47092 ± 5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.4055
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.3757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No