Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556252
Preview
| Coordinates | 1556252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N5 O2 |
|---|---|
| Calculated formula | C19 H17 N5 O2 |
| SMILES | O(C(=O)/C(=N/Nc1cccnc1c1ncccc1)c1ncccc1)CC |
| Title of publication | Zinc(II)-regulation of hydrazone switch isomerization kinetics. |
| Authors of publication | Su, Xin; Aprahamian, Ivan |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 23 |
| Pages of publication | 5952 - 5955 |
| a | 16.8981 ± 0.0004 Å |
| b | 16.8981 ± 0.0004 Å |
| c | 11.9461 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3411.16 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.1432 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243598 (current) | 2019-11-26 | cif/ Adding structures of 1556252 via cif-deposit CGI script. |
1556252.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.