Information card for entry 1551362

Structure parameters

• Formula: C12 H10 N2 O2 S
• Calculated formula: C12 H10 N2 O2 S
• SMILES: S1(=O)(=O)c2c(ccc(N)c2)c2c1cc(N)cc2
• Title of publication: Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water
• Authors of publication: Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 1180 - 1189
• a: 7.4654 ± 0.0004 Å
• b: 8.3783 ± 0.0004 Å
• c: 17.0551 ± 0.0008 Å
• α: 97.595 ± 0.004°
• β: 100.424 ± 0.004°
• γ: 90.636 ± 0.004°
• Cell volume: 1039.27 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No