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Information card for entry 3000415
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| Coordinates | 3000415.cif |
|---|
| Formula | C19 H20 O6 |
|---|---|
| Calculated formula | C19 H20 O6 |
| Authors of publication | Phansuang Udomputtimekakul |
| Journal of publication | Personal communication to COD |
| Year of publication | 2022 |
| a | 6.4 ± 0.0001 Å |
| b | 9.9684 ± 0.0002 Å |
| c | 25.9394 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1654.88 ± 0.06 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279663 (current) | 2022-12-01 | cif/ Updating files of 3000415 Original log message: Releasing structure 3000415 into public domain as personal communication to COD. |
3000415.cif |
| 278377 | 2022-10-06 | cif/ Adding structures of 3000415 via cif-deposit CGI script. |
3000415.cif |
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Users of the data should acknowledge the original authors of the
structural data.