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Information card for entry 7716186
Preview
| Coordinates | 7716186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H7 I O2 Se |
|---|---|
| Calculated formula | C14 H7 I O2 Se |
| SMILES | I[Se]c1c2C(=O)c3ccccc3C(=O)c2ccc1 |
| 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 | 7.122 ± 0.003 Å |
| b | 8.016 ± 0.003 Å |
| c | 12.208 ± 0.005 Å |
| α | 107.639 ± 0.015° |
| β | 92.822 ± 0.016° |
| γ | 111.661 ± 0.012° |
| Cell volume | 607 ± 0.4 Å3 |
| Cell temperature | 100 ± 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
| Diffraction radiation wavelength | 0.71073 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. |
7716186.cif |
| 292076 | 2024-05-29 | cif/ Adding structures of 7716186, 7716187, 7716188, 7716189 via cif-deposit CGI script. |
7716186.cif |
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Users of the data should acknowledge the original authors of the
structural data.