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Information card for entry 3000589
Preview
No preview available: structure is on hold until 2025-08-28
| Coordinates | Coordinates are not available: structure is on hold until 2025-08-28 |
|---|
| Formula | C16 H16 O8 |
|---|---|
| Authors of publication | Sasaki, Toshiyuki; Nakane, Takanori; Takimoto, Kazuyoshi; Ichiyanagi, Kouhei; Mori, Yuki; Baba, Seiki; Sakai, Naoki; Kurisu, Genji; Miyata, Mikiji; Uno, Takahiro; Itoh, Takahito |
| Journal of publication | To be published |
| a | 8.7157 ± 0.0005 Å |
| b | 6.7991 ± 0.0003 Å |
| c | 12.3904 ± 0.0007 Å |
| α | 90° |
| β | 101.692 ± 0.006° |
| γ | 90° |
| Cell volume | 719.01 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.