Information card for entry 4514514

Structure parameters

• Chemical name: PFC-1
• Formula: C44 H26 O8
• Calculated formula: C44 H26 O8
• SMILES: c12ccc3c4c2c(ccc4c(cc3c2ccc(cc2)C(=O)O)c2ccc(cc2)C(=O)O)c(cc1c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
• Title of publication: Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane.
• Authors of publication: Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 17823 - 17827
• a: 3.7703 ± 0.0002 Å
• b: 27.5034 ± 0.0016 Å
• c: 29.3675 ± 0.0016 Å
• α: 90°
• β: 92.841 ± 0.006°
• γ: 90°
• Cell volume: 3041.6 ± 0.3 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No