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Information card for entry 7159899
Preview
| Coordinates | 7159899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-hydroxyphenazin-2(10H)-one |
|---|---|
| Formula | C12 H8 N2 O2 |
| Calculated formula | C12 H8 N2 O2 |
| SMILES | O=C1C=C2Nc3ccccc3N=C2C=C1O |
| Title of publication | Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization. |
| Authors of publication | Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 20 |
| Pages of publication | 4077 - 4088 |
| a | 3.7249 ± 0.0002 Å |
| b | 9.6327 ± 0.0004 Å |
| c | 12.9466 ± 0.0005 Å |
| α | 90° |
| β | 92.843 ± 0.003° |
| γ | 90° |
| Cell volume | 463.96 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293261 (current) | 2024-07-05 | cif/ Updating files of 7159899, 7159900, 7159901, 7159902 Original log message: Adding full bibliography for 7159899--7159902.cif. |
7159899.cif |
| 291218 | 2024-04-16 | cif/ Adding structures of 7159899, 7159900, 7159901, 7159902 via cif-deposit CGI script. |
7159899.cif |
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Users of the data should acknowledge the original authors of the
structural data.