Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233396
Preview
| Coordinates | 7233396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H19 N5 S |
|---|---|
| Calculated formula | C32 H19 N5 S |
| Title of publication | Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color |
| Authors of publication | Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 38 |
| Pages of publication | 5699 |
| a | 9.71088 ± 0.00005 Å |
| b | 16.39216 ± 0.00009 Å |
| c | 15.37234 ± 0.00009 Å |
| α | 90° |
| β | 97.2646 ± 0.0005° |
| γ | 90° |
| Cell volume | 2427.36 ± 0.02 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223725 (current) | 2019-11-07 | cif/ Updating files of 7233396, 7233397, 7233398, 7233399, 7233400 Original log message: Adding full bibliography for 7233396--7233400.cif. |
7233396.cif |
| 217597 | 2019-08-20 | cif/ Adding structures of 7233396, 7233397, 7233398, 7233399, 7233400 via cif-deposit CGI script. |
7233396.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.