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Information card for entry 7154749
Preview
| Coordinates | 7154749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H31 Br N3 O6 |
|---|---|
| Calculated formula | C35 H26 Br N3 O8 |
| SMILES | Brc1ccc(n2c(c3ccccc3)c(nc2c2cc3n(c(c(c3C(=O)OC)C(=O)OC)C(=O)OC)cc2)c2ccccc2)cc1.O.O |
| 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 | 8.685 ± 0.003 Å |
| b | 14.214 ± 0.004 Å |
| c | 14.72 ± 0.004 Å |
| α | 90.883 ± 0.004° |
| β | 105.896 ± 0.004° |
| γ | 100.876 ± 0.003° |
| Cell volume | 1711.9 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1335 |
| Residual factor for significantly intense reflections | 0.1213 |
| Weighted residual factors for significantly intense reflections | 0.3624 |
| Weighted residual factors for all reflections included in the refinement | 0.3775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.779 |
| 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. |
7154749.cif |
| 171329 | 2015-12-09 | cif/ Updating files of 7154748, 7154749 Original log message: Adding full bibliography for 7154748--7154749.cif. |
7154749.cif |
| 165332 | 2015-10-10 | cif/ Adding structures of 7154748, 7154749 via cif-deposit CGI script. |
7154749.cif |
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Users of the data should acknowledge the original authors of the
structural data.