Information card for entry 4134321

Structure parameters

• Formula: C31 H37 N5 O5
• Calculated formula: C31 H37 N5 O5
• SMILES: O=C(N/N=C/c1ccccc1)c1cc(OCCC)c(cc1OCCC)C(=O)N/N=C/c1ccccc1.O=CN(C)C
• 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: 7.5394 ± 0.0002 Å
• b: 14.4953 ± 0.0005 Å
• c: 26.6114 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2908.25 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No