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Information card for entry 1552888
Preview
| Coordinates | 1552888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H7 B F2 N2 O2 |
|---|---|
| Calculated formula | C10 H7 B F2 N2 O2 |
| SMILES | F[B]1(F)OC(=Nc2[n]1cccc2)c1occc1 |
| Title of publication | Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state |
| Authors of publication | Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki |
| Journal of publication | Photochemical & Photobiological Sciences |
| Year of publication | 2019 |
| a | 7.1941 ± 0.0003 Å |
| b | 8.5967 ± 0.0004 Å |
| c | 9.1402 ± 0.0004 Å |
| α | 88.519 ± 0.006° |
| β | 70.424 ± 0.005° |
| γ | 67.994 ± 0.005° |
| Cell volume | 490.58 ± 0.05 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.194 |
| Weighted residual factors for all reflections included in the refinement | 0.2008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227756 (current) | 2019-11-14 | cif/ Adding structures of 1552887, 1552888, 1552889, 1552890, 1552891, 1552892 via cif-deposit CGI script. |
1552888.cif |
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Users of the data should acknowledge the original authors of the
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