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Information card for entry 1543207
Preview
| Coordinates | 1543207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H32 N3 O4 S |
|---|---|
| Calculated formula | C13 H32 N3 O4 S |
| Title of publication | Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers |
| Authors of publication | Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 21 |
| Pages of publication | 3496 |
| a | 15.4997 ± 0.0003 Å |
| b | 7.5991 ± 0.0002 Å |
| c | 16.524 ± 0.0005 Å |
| α | 90° |
| β | 110.066 ± 0.002° |
| γ | 90° |
| Cell volume | 1828.12 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543207.cif |
| 183797 | 2016-06-18 | cif/ Updating files of 1543207, 1543208 Original log message: Adding full bibliography for 1543207--1543208.cif. |
1543207.cif |
| 182376 | 2016-04-28 | cif/ Adding structures of 1543207, 1543208 via cif-deposit CGI script. |
1543207.cif |
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Users of the data should acknowledge the original authors of the
structural data.