Information card for entry 1556263

Structure parameters

• Formula: C20 H12 N2 O2 S2
• Calculated formula: C20 H12 N2 O2 S2
• SMILES: c1(c2c(O)cccc2)nc2c(s1)cc1c(c2)sc(c2c(O)cccc2)n1
• Title of publication: A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors
• Authors of publication: Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 47 - 52
• a: 11.2568 ± 0.0012 Å
• b: 5.8241 ± 0.0007 Å
• c: 12.8702 ± 0.0017 Å
• α: 90°
• β: 112.433 ± 0.004°
• γ: 90°
• Cell volume: 779.93 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No