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Information card for entry 7031753
Preview
Coordinates | 7031753.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12.33333 H13.66667 B Cl0.66667 F2 N3 O |
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Calculated formula | C12.3333 H12.6667 B Cl0.666667 F2 N3 O |
SMILES | F[B]1(F)OC(=Cc2[n]1c1nc(N)ccc1c(c2)C)C.ClCCl |
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 | 11.461 ± 0.003 Å |
b | 12.13 ± 0.003 Å |
c | 14.451 ± 0.004 Å |
α | 83.107 ± 0.007° |
β | 82.118 ± 0.007° |
γ | 73.049 ± 0.006° |
Cell volume | 1896.8 ± 0.9 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.0845 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.2047 |
Weighted residual factors for all reflections included in the refinement | 0.2227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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