Information card for entry 4134611

Structure parameters

• Chemical name: PFC-13
• Formula: C24 H15 N3 O6
• Calculated formula: C24 H15 N3 O6
• SMILES: O=C(O)c1ccc(c2nc(nc(n2)c2ccc(cc2)C(=O)O)c2ccc(cc2)C(=O)O)cc1
• 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: 26.4904 ± 0.001 Å
• b: 41.3829 ± 0.0015 Å
• c: 30.8788 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33851 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No