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Information card for entry 7243370
Preview
| Coordinates | 7243370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H10 B F2 N O3 |
|---|---|
| Calculated formula | C9 H10 B F2 N O3 |
| Title of publication | Photophysical properties of a boron analogue of coumarin |
| Authors of publication | Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 6.5253 ± 0.0016 Å |
| b | 11.9 ± 0.003 Å |
| c | 13.029 ± 0.003 Å |
| α | 90° |
| β | 100.248 ± 0.006° |
| γ | 90° |
| Cell volume | 995.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268062 (current) | 2021-08-13 | cif/ Adding structures of 7243370 via cif-deposit CGI script. |
7243370.cif |
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Users of the data should acknowledge the original authors of the
structural data.