Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108362
Preview
| Coordinates | 2108362.cif |
|---|---|
| Structure factors | 2108362.hkl |
| Original paper (by DOI) | HTML |
| Formula | C17 H10 N2 |
|---|---|
| Calculated formula | C17 H10 N2 |
| SMILES | n1cc2c3n(c4c(cccc4)c3c1)c1ccccc21 |
| Title of publication | The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry |
| Authors of publication | Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 97 - 106 |
| a | 4.064 ± 0.008 Å |
| b | 16.58 ± 0.03 Å |
| c | 17.57 ± 0.03 Å |
| α | 90° |
| β | 91.53 ± 0.05° |
| γ | 90° |
| Cell volume | 1183 ± 4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| 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 | 0.0984 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213457 (current) | 2019-02-03 | cif/ Updating files of 2108362, 2108363, 2108364, 2108365, 2108366, 2108367, 2108368 Original log message: Adding full bibliography for 2108362--2108368.cif. |
2108362.cif 2108362.hkl |
| 213313 | 2019-01-25 | cif/ hkl/ Adding structures of 2108362, 2108363, 2108364, 2108365, 2108366, 2108367, 2108368 via cif-deposit CGI script. |
2108362.cif 2108362.hkl |
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.