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Information card for entry 7031751
Preview
| Coordinates | 7031751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H20 B F2 N3 O2 |
|---|---|
| Calculated formula | C10 H8 B F2 N3 O2 |
| SMILES | F[B]1(F)OC(=Nc2[n]1c1[nH]c(=O)ccc1cc2)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 | 4.647 ± 0.0008 Å |
| b | 19.055 ± 0.003 Å |
| c | 11.323 ± 0.0018 Å |
| α | 90° |
| β | 96.136 ± 0.008° |
| γ | 90° |
| Cell volume | 996.9 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 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. |
7031751.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. |
7031751.cif |
| 120773 | 2014-07-25 | cif/ Adding structures of 7031750, 7031751, 7031752, 7031753, 7031754, 7031755 via cif-deposit CGI script. |
7031751.cif |
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Users of the data should acknowledge the original authors of the
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