Information card for entry 4134609

Structure parameters

• Chemical name: PFC-11
• Formula: C24 H15 N3 O6
• Calculated formula: C24 H15 N3 O6
• SMILES: OC(=O)c1ccc(cc1)c1nc(c2ccc(cc2)C(=O)O)nc(c2ccc(cc2)C(=O)O)n1
• Title of publication: Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.
• Authors of publication: Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 28.8499 ± 0.0008 Å
• b: 30.8381 ± 0.0009 Å
• c: 41.3583 ± 0.0012 Å
• α: 90°
• β: 92.334 ± 0.002°
• γ: 90°
• Cell volume: 36765 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1453
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2752
• Weighted residual factors for all reflections included in the refinement: 0.3182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No