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Information card for entry 7118015
Preview
| Coordinates | 7118015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H25 B N2 |
|---|---|
| Calculated formula | C29 H25 B N2 |
| SMILES | [n]12c(ccc3c1cccc3)c1c(cc(N(c3ccccc3)c3ccccc3)cc1)[B]2(C)C |
| Title of publication | Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons |
| Authors of publication | Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 16115 |
| a | 17.3899 ± 0.0003 Å |
| b | 10.3122 ± 0.0002 Å |
| c | 26.5129 ± 0.0005 Å |
| α | 90° |
| β | 108.487 ± 0.001° |
| γ | 90° |
| Cell volume | 4509.16 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0965 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1548 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118015.cif |
| 176428 | 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. |
7118015.cif |
| 169891 | 2015-10-30 | cif/ Adding structures of 7118015, 7118016, 7118017, 7118018, 7118019 via cif-deposit CGI script. |
7118015.cif |
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Users of the data should acknowledge the original authors of the
structural data.