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Information card for entry 7131004
Preview
| Coordinates | 7131004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 Cl N O S |
|---|---|
| Calculated formula | C17 H10 Cl N O S |
| SMILES | s1c(C(=O)n2c3c(c4c2cccc4)cccc3)c(Cl)cc1 |
| Title of publication | Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization |
| Authors of publication | Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 12.022 ± 0.002 Å |
| b | 7.1624 ± 0.001 Å |
| c | 16.385 ± 0.0018 Å |
| α | 90° |
| β | 91.386 ± 0.006° |
| γ | 90° |
| Cell volume | 1410.4 ± 0.3 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 6 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279266 (current) | 2022-11-15 | cif/ Adding structures of 7131002, 7131003, 7131004 via cif-deposit CGI script. |
7131004.cif |
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