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Information card for entry 1570705
Preview
| Coordinates | 1570705.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>rac</i>-Hydroxyisovaleric acid |
|---|---|
| Chemical name | <i>rac</i>-2-Hydroxy-3-methylbutanoic acid |
| Formula | C5 H10 O3 |
| Calculated formula | C5 H10 O3 |
| Title of publication | rac-Hydroxyisovaleric acid |
| Authors of publication | Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 1 |
| a | 10.9589 ± 0.0004 Å |
| b | 9.328 ± 0.0004 Å |
| c | 12.7255 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1300.86 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288716 (current) | 2024-01-06 | cif/ Adding structures of 1570705 via cif-deposit CGI script. |
1570705.cif |
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