Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059310
Preview
| Coordinates | 7059310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H43 N Se2 Si |
|---|---|
| Calculated formula | C32 H43 N Se2 Si |
| Title of publication | Synthesis of fused chalcogenophenocarbazoles: towards dual emission resulting from hybridized local and charge-transfer states |
| Authors of publication | Petrenko, Alla; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Danyliv, Yan; Simokaitiene, Jurate; Belyakov, Sergey; Grazulevicius, Juozas Vidas; Arsenyan, Pavel |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 3903 - 3911 |
| a | 19.8872 ± 0.001 Å |
| b | 5.8066 ± 0.0002 Å |
| c | 26.9647 ± 0.0016 Å |
| α | 90° |
| β | 103.393 ± 0.005° |
| γ | 90° |
| Cell volume | 3029.1 ± 0.3 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059310.cif |
| 257654 | 2020-10-06 | cif/ Updating files of 7059310 Original log message: Adding full bibliography for 7059310.cif. |
7059310.cif |
| 250336 | 2020-04-05 | cif/ Updating files of 7059310 Original log message: Adding full bibliography for 7059310.cif. |
7059310.cif |
| 248025 | 2020-02-11 | cif/ Adding structures of 7059310 via cif-deposit CGI script. |
7059310.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.