Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4127245
Preview
| Coordinates | 4127245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N3 O4 |
|---|---|
| Calculated formula | C16 H15 N3 O4 |
| SMILES | O(C(=O)C(=N\Nc1ccc(N(=O)=O)cc1)/c1ccccc1)CC |
| Title of publication | Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones. |
| Authors of publication | Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 20 |
| Pages of publication | 8364 - 8371 |
| a | 15.4094 ± 0.0002 Å |
| b | 6.7356 ± 0.0001 Å |
| c | 15.5716 ± 0.0002 Å |
| α | 90° |
| β | 109.499 ± 0.001° |
| γ | 90° |
| Cell volume | 1523.51 ± 0.04 Å3 |
| Number of distinct elements | 4 |
| 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 | 0.047 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223192 (current) | 2019-11-04 | cif/ Updating files of 4127241, 4127242, 4127243, 4127244, 4127245, 4127246, 4127247 Original log message: Adding full bibliography for 4127241--4127247.cif. |
4127245.cif |
| 215092 | 2019-05-13 | cif/ Adding structures of 4127245 via cif-deposit CGI script. |
4127245.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.