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Information card for entry 7234411
Preview
| Coordinates | 7234411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H26 N4 O2 S4 |
|---|---|
| Calculated formula | C32 H26 N4 O2 S4 |
| SMILES | s1c(c(c(c1C)c1c2nsnc2c2nsnc2c1c1c(sc(c1C)c1ccc(OC)cc1)C)C)c1ccc(OC)cc1 |
| Title of publication | Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies |
| Authors of publication | Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 8665 - 8674 |
| a | 9.77 ± 0.002 Å |
| b | 16.009 ± 0.004 Å |
| c | 18.723 ± 0.004 Å |
| α | 90° |
| β | 97.167 ± 0.004° |
| γ | 90° |
| Cell volume | 2905.5 ± 1.1 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 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 | 0.1676 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.2165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234411.cif |
| 219123 | 2019-10-07 | cif/ Adding structures of 7234409, 7234410, 7234411 via cif-deposit CGI script. |
7234411.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.