Information card for entry 4134323

Structure parameters

• Formula: C22 H22 N4 O4
• Calculated formula: C22 H22 N4 O4
• SMILES: C(=O)(c1ccc(C(=O)N/N=C/c2ccccc2)cc1)N/N=C/c1ccccc1.O.O
• Title of publication: Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.
• Authors of publication: Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.4621 ± 0.0006 Å
• b: 4.6443 ± 0.0002 Å
• c: 33.9076 ± 0.0018 Å
• α: 90°
• β: 96.663 ± 0.002°
• γ: 90°
• Cell volume: 1949.24 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No