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Information card for entry 1545326
Preview
| Coordinates | 1545326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 Cl N2 O6 P |
|---|---|
| Calculated formula | C15 H20 Cl N2 O6 P |
| SMILES | c1c(cccc1[C@@](C(=O)OC(C)(C)C)(C(=N#N)P(=O)(OC)OC)O)Cl |
| Title of publication | Asymmetric Reaction of α-Diazomethylphosphonates with α-Ketoesters To Access Optically Active α-Diazo-β-hydroxyphosphonate Derivatives. |
| Authors of publication | Du, Fei; Zhou, Jiao; Peng, Yungui |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| a | 8.812 ± 0.00014 Å |
| b | 9.83567 ± 0.00018 Å |
| c | 11.24951 ± 0.00019 Å |
| α | 90° |
| β | 108.818 ± 0.0018° |
| γ | 90° |
| Cell volume | 922.9 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192671 (current) | 2017-03-02 | cif/ Adding structures of 1545326 via cif-deposit CGI script. |
1545326.cif |
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