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Information card for entry 7035507
Preview
| Coordinates | 7035507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 B F2 N4 |
|---|---|
| Calculated formula | C20 H19 B F2 N4 |
| SMILES | [B]1(F)(F)n2c(cc(c2c2c(c3c(cc(C)[nH]3)C)nc3ccccc3[n]12)C)C |
| Title of publication | Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence. |
| Authors of publication | Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 31 |
| Pages of publication | 13897 - 13905 |
| a | 8.6636 ± 0.0009 Å |
| b | 9.9831 ± 0.001 Å |
| c | 11.0281 ± 0.0011 Å |
| α | 97.364 ± 0.001° |
| β | 91.137 ± 0.001° |
| γ | 108.793 ± 0.001° |
| Cell volume | 893.62 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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. |
7035507.cif |
| 153171 | 2015-08-08 | cif/ Updating files of 7035507, 7035508, 7035509, 7035510 Original log message: Adding full bibliography for 7035507--7035510.cif. |
7035507.cif |
| 139500 | 2015-06-23 | cif/ Adding structures of 7035507, 7035508, 7035509, 7035510 via cif-deposit CGI script. |
7035507.cif |
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Users of the data should acknowledge the original authors of the
structural data.