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Information card for entry 1557663
Preview
| Coordinates | 1557663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H10 B N O3 |
|---|---|
| Calculated formula | C8 H10 B N O3 |
| SMILES | OB(O)c1ccc(C(=O)NC)cc1 |
| Title of publication | The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. |
| Authors of publication | Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2020 |
| a | 4.98445 ± 0.00016 Å |
| b | 24.1243 ± 0.0007 Å |
| c | 7.0635 ± 0.0002 Å |
| α | 90° |
| β | 98.767 ± 0.003° |
| γ | 90° |
| Cell volume | 839.44 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 0.3 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0645 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249762 (current) | 2020-03-27 | cif/ Adding structures of 1557663 via cif-deposit CGI script. |
1557663.cif |
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Users of the data should acknowledge the original authors of the
structural data.