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Information card for entry 7131002
Preview
| Coordinates | 7131002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 Br N O S |
|---|---|
| Calculated formula | C17 H10 Br N O S |
| SMILES | Brc1c(scc1)C(=O)n1c2c(c3c1cccc3)cccc2 |
| 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 | 7.8966 ± 0.0004 Å |
| b | 7.7464 ± 0.0004 Å |
| c | 23.3386 ± 0.0011 Å |
| α | 90° |
| β | 96.192 ± 0.002° |
| γ | 90° |
| Cell volume | 1419.3 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
7131002.cif |
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