Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234628
Preview
| Coordinates | 7234628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 N4 |
|---|---|
| Calculated formula | C16 H12 N4 |
| Title of publication | A fluorescent and halochromic indolizine switch |
| Authors of publication | Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2744 - 2747 |
| a | 13.0779 ± 0.0006 Å |
| b | 6.7374 ± 0.0003 Å |
| c | 14.8646 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1309.74 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219359 (current) | 2019-10-15 | cif/ Adding structures of 7234628, 7234629 via cif-deposit CGI script. |
7234628.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.