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Information card for entry 7031754
Preview
| Coordinates | 7031754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H13 B Cl F2 N3 O2 |
|---|---|
| Calculated formula | C14 H13 B Cl F2 N3 O2 |
| SMILES | ClCC(=O)Nc1nc2[n]3c(cc(c2cc1)C)C=C(O[B]3(F)F)C |
| Title of publication | New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties. |
| Authors of publication | Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13924 - 13931 |
| a | 7.645 ± 0.0015 Å |
| b | 12.31 ± 0.003 Å |
| c | 16.339 ± 0.003 Å |
| α | 94.37 ± 0.03° |
| β | 99.76 ± 0.03° |
| γ | 95.76 ± 0.03° |
| Cell volume | 1500.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1678 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031754.cif |
| 182221 | 2016-04-20 | cif/7 Fixing Z values and formulae |
7031754.cif |
| 180023 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031754.cif |
| 123486 | 2014-09-08 | cif/ Updating files of 7031750, 7031751, 7031752, 7031753, 7031754, 7031755 Original log message: Adding full bibliography for 7031750--7031755.cif. |
7031754.cif |
| 120773 | 2014-07-25 | cif/ Adding structures of 7031750, 7031751, 7031752, 7031753, 7031754, 7031755 via cif-deposit CGI script. |
7031754.cif |
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