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Information card for entry 7716188
Preview
| Coordinates | 7716188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H7 Br O2 Se |
|---|---|
| Calculated formula | C14 H7 Br O2 Se |
| SMILES | Br[Se]1c2cccc3C(=O)c4ccccc4C(c23)=[O]1 |
| Title of publication | Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations. |
| Authors of publication | Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 24 |
| Pages of publication | 10099 - 10112 |
| a | 7.163 ± 0.003 Å |
| b | 7.945 ± 0.002 Å |
| c | 11.682 ± 0.004 Å |
| α | 72.824 ± 0.019° |
| β | 86.44 ± 0.02° |
| γ | 65.249 ± 0.014° |
| Cell volume | 575.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.534 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293006 (current) | 2024-07-05 | cif/ Updating files of 7716186, 7716187, 7716188, 7716189 Original log message: Adding full bibliography for 7716186--7716189.cif. |
7716188.cif |
| 292076 | 2024-05-29 | cif/ Adding structures of 7716186, 7716187, 7716188, 7716189 via cif-deposit CGI script. |
7716188.cif |
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Users of the data should acknowledge the original authors of the
structural data.