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Information card for entry 1574061
Preview
| Coordinates | 1574061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dimethyl ((2R,3R)-3-methyl-2-naphthalen-2-yl-4-oxooxetan-2-yl)phosphonate |
|---|---|
| Formula | C16 H17 O5 P |
| Calculated formula | C16 H17 O5 P |
| Title of publication | Isothiourea-Catalysed Enantioselective Synthesis of Phosphonate-Functionalised β-lactones |
| Authors of publication | Platt, Ffion M.; Wang, Yihong; Cordes, David Bradford; McKay, Aidan P.; Slawin, Alexandra; Panchal, Heena; Smith, Andrew D. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 6.279 ± 0.0002 Å |
| b | 8.1645 ± 0.0003 Å |
| c | 30.231 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1549.79 ± 0.09 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298306 (current) | 2025-03-07 | cif/ Adding structures of 1574060, 1574061, 1574062 via cif-deposit CGI script. |
1574061.cif |
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