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Information card for entry 3500098
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| Coordinates | 3500098.cif |
|---|---|
| Structure factors | 3500098.hkl |
| Common name | b-D-Glucurono-1,4-lactone |
|---|---|
| Formula | C6 H8 O6 |
| Calculated formula | C6 H8 O6 |
| Title of publication | beta-D-Glucurono-1,4-lactone |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 6.5747 ± 0.0002 Å |
| b | 7.4299 ± 0.0003 Å |
| c | 6.7388 ± 0.0002 Å |
| α | 90° |
| β | 93.33 ± 0.001° |
| γ | 90° |
| Cell volume | 328.63 ± 0.019 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247190 (current) | 2020-01-24 | cif/ hkl/ Adding structures of 3500098 via cif-deposit CGI script. |
3500098.cif 3500098.hkl |
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Users of the data should acknowledge the original authors of the
structural data.