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Information card for entry 1545667
Preview
| Coordinates | 1545667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | m-tolBF2 |
|---|---|
| Formula | C16 H13 B F2 O2 |
| Calculated formula | C16 H13 B F2 O2 |
| Title of publication | Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides |
| Authors of publication | Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi |
| Journal of publication | Photochem. Photobiol. Sci. |
| Year of publication | 2017 |
| a | 7.1998 ± 0.0017 Å |
| b | 14.199 ± 0.003 Å |
| c | 14.276 ± 0.004 Å |
| α | 90° |
| β | 102.928 ± 0.005° |
| γ | 90° |
| Cell volume | 1422.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.22 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2089 |
| Weighted residual factors for all reflections included in the refinement | 0.2597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.801 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194645 (current) | 2017-04-01 | cif/ Adding structures of 1545665, 1545666, 1545667 via cif-deposit CGI script. |
1545667.cif |
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Users of the data should acknowledge the original authors of the
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