Information card for entry 4128509

Structure parameters

• Formula: C78 H62 N12 O7
• Calculated formula: C78 H62 N12 O7
• Title of publication: Cage Based Crystalline Covalent Organic Frameworks.
• Authors of publication: Ma, Jian-Xin; Li, Jian; Chen, Yi-Fan; Ning, Rui; Ao, Yu-Fei; Liu, Jun-Min; Sun, Junliang; Wang, De-Xian; Wang, Qi-Qiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3843 - 3848
• a: 13.9724 ± 0.0007 Å
• b: 29.8124 ± 0.0009 Å
• c: 16.4699 ± 0.0009 Å
• α: 90°
• β: 108.05 ± 0.006°
• γ: 90°
• Cell volume: 6522.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No