Information card for entry 4128837

Structure parameters

• Formula: C42 H28 N2 O2
• Calculated formula: C42 H28 N2 O2
• SMILES: c12c(cc(c3ccc4c(cc(c(cc2)c4c13)c1ccc(cc1)C=O)c1ccc(N)cc1)c1ccc(cc1)C=O)c1ccc(N)cc1
• Title of publication: De Novo Design and Facile Synthesis of 2D Covalent Organic Frameworks: A Two-in-One Strategy.
• Authors of publication: Li, Yusen; Chen, Qing; Xu, Tiantian; Xie, Zhen; Liu, Jingjuan; Yu, Xiang; Ma, Shengqian; Qin, Tianshi; Chen, Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 35
• Pages of publication: 13822 - 13828
• a: 6.1503 ± 0.0012 Å
• b: 12.927 ± 0.003 Å
• c: 21.54 ± 0.004 Å
• α: 90°
• β: 90.01 ± 0.03°
• γ: 90°
• Cell volume: 1712.5 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.1589
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No