Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154748
Preview
| Coordinates | 7154748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H35 N3 O6 |
|---|---|
| Calculated formula | C39 H35 N3 O6 |
| SMILES | O(CC)C(=O)c1n2ccc(c3n(c(c(n3)c3ccccc3)c3ccccc3)c3ccc(C)cc3)cc2c(c1C(=O)OCC)C(=O)OCC |
| Title of publication | Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives. |
| Authors of publication | Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 48 |
| Pages of publication | 11674 - 11686 |
| a | 18.151 ± 0.004 Å |
| b | 9.375 ± 0.002 Å |
| c | 20.204 ± 0.004 Å |
| α | 90° |
| β | 95.666 ± 0.004° |
| γ | 90° |
| Cell volume | 3421.2 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0951 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.2 |
| Weighted residual factors for all reflections included in the refinement | 0.2365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7154748.cif |
| 171329 | 2015-12-09 | cif/ Updating files of 7154748, 7154749 Original log message: Adding full bibliography for 7154748--7154749.cif. |
7154748.cif |
| 165332 | 2015-10-10 | cif/ Adding structures of 7154748, 7154749 via cif-deposit CGI script. |
7154748.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.