Information card for entry 1551166

Structure parameters

• Formula: C33 H24 O12
• Calculated formula: C33 H24 O12
• SMILES: c1(c(C)c(c(c(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)c1cc(cc(c1)C(=O)O)C(=O)O)c1cc(cc(c1)C(=O)O)C(=O)O
• Title of publication: Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance
• Authors of publication: Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.2358 ± 0.0017 Å
• b: 12.2358 ± 0.0017 Å
• c: 33.86 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4390.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No