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Information card for entry 2312805
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| Coordinates | 2312805.cif |
|---|---|
| Structure factors | 2312805.hkl |
| Original IUCr paper | HTML |
| Common name | Erythritol |
|---|---|
| Chemical name | (2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetrol |
| Formula | C4 H10 O4 |
| Calculated formula | C4 H10 O4 |
| Title of publication | Crystal structures of two pyrrolidin-1-yl derivatives of cathinone: α-PVP and α-D2PV. |
| Authors of publication | Kuś, Piotr; Kusz, Joachim; Książek, Maria; Rojkiewicz, Marcin |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 5 |
| Pages of publication | 252 - 258 |
| a | 12.789 ± 0.0003 Å |
| b | 12.789 ± 0.0003 Å |
| c | 6.8269 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1116.6 ± 0.05 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299924 (current) | 2025-06-03 | cif/ Updating files of 2312803, 2312804, 2312805 Original log message: Adding full bibliography for 2312803--2312805.cif. |
2312805.cif 2312805.hkl |
| 298755 | 2025-04-05 | cif/ hkl/ Adding structures of 2312803, 2312804, 2312805 via cif-deposit CGI script. |
2312805.cif 2312805.hkl |
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Users of the data should acknowledge the original authors of the
structural data.