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Information card for entry 1551363
Preview
| Coordinates | 1551363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H12 N2 O4 S2 |
|---|---|
| Calculated formula | C18 H12 N2 O4 S2 |
| SMILES | c1c2c3c(cc(cc3)N)S(=O)(=O)c2cc2c1S(=O)(=O)c1c2ccc(c1)N |
| 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 | 5.8666 ± 0.0002 Å |
| b | 10.0313 ± 0.0003 Å |
| c | 13.5015 ± 0.0004 Å |
| α | 90° |
| β | 97.082 ± 0.003° |
| γ | 90° |
| Cell volume | 788.5 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551363.cif |
| 215881 | 2019-06-12 | cif/ Adding structures of 1551363 via cif-deposit CGI script. |
1551363.cif |
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Users of the data should acknowledge the original authors of the
structural data.