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CIF Information Card
Information card for 1200021
1200020 << 1200021 >> 1500001Preview
|
Coordinates |
1200021.cif |
Structure parameters
| Formula | - C16 H12 O7 - |
| Calculated formula | - C16 H12 O7 - |
| Title of publication | Structure of Capillarisin |
| Authors of publication | Fujii, Isao; Hirayama, Noriaki |
| a | 12.4556 ± 0.0004 Å |
| b | 11.41 ± 0.0007 Å |
| c | 9.8681 ± 0.0007 Å |
| α | 90° |
| β | 101.318 ± 0.004° |
| γ | 90° |
| Cell volume | 1375.2 ± 0.1 Å3 |
| Cell temperature | 297 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/a 1 |
| Hall symmetry space group | -P 2yab |
| Residual factor for observed reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for observed reflections | 1.21 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |