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Information card for entry 1568275
Preview
| Coordinates | 1568275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SQ1b |
|---|---|
| Formula | C48 H63 O3 S3 |
| Calculated formula | C48 H63 O3 S3 |
| Title of publication | Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption. |
| Authors of publication | Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 1978 - 1985 |
| a | 13.5881 ± 0.0012 Å |
| b | 14.1008 ± 0.001 Å |
| c | 14.4563 ± 0.0012 Å |
| α | 89.576 ± 0.006° |
| β | 67.544 ± 0.005° |
| γ | 67.336 ± 0.005° |
| Cell volume | 2330.2 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281343 (current) | 2023-03-04 | cif/ Updating files of 1568273, 1568274, 1568275 Original log message: Adding full bibliography for 1568273--1568275.cif. |
1568275.cif |
| 280351 | 2023-01-17 | cif/ Adding structures of 1568273, 1568274, 1568275 via cif-deposit CGI script. |
1568275.cif |
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Users of the data should acknowledge the original authors of the
structural data.