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Information card for entry 2107465
Preview
| Coordinates | 2107465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal |
|---|---|
| Chemical name | ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate |
| Formula | C5 H14 N O6 P |
| Calculated formula | C5 H14 N O6 P |
| Title of publication | Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state |
| Authors of publication | Ślepokura, Katarzyna Anna |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 117 - 125 |
| a | 11.873 ± 0.004 Å |
| b | 19.569 ± 0.006 Å |
| c | 14.218 ± 0.005 Å |
| α | 116.88 ± 0.03° |
| β | 93.62 ± 0.03° |
| γ | 90.15 ± 0.03° |
| Cell volume | 2938.8 ± 1.9 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2107465.cif |
| 176607 | 2016-02-17 | cif/ Updating files of 2107464, 2107465, 2107466, 2107467 Original log message: Adding full bibliography for 2107464--2107467.cif. |
2107465.cif |
| 176556 | 2016-02-17 | cif/ Updating files of 2107464, 2107465, 2107466, 2107467 Original log message: Adding full bibliography for 2107464--2107467.cif. |
2107465.cif |
| 175331 | 2016-01-31 | cif/ hkl/ Adding structures of 2107464, 2107465, 2107466, 2107467 via cif-deposit CGI script. |
2107465.cif |
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Users of the data should acknowledge the original authors of the
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