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Information card for entry 1507839
Preview
| Coordinates | 1507839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H25 N2 O7 P |
|---|---|
| Calculated formula | C12 H25 N2 O7 P |
| SMILES | [C@](C)([C@@H](CN(=O)=O)CC(C)C)(N(=O)=O)P(=O)(OCC)OCC |
| Title of publication | Catalytic asymmetric synthesis of α,β-disubstituted α,γ-diaminophosphonic acid precursors by Michael addition of α-substituted nitrophosphonates to nitroolefins. |
| Authors of publication | Tripathi, Chandra Bhushan; Kayal, Satavisha; Mukherjee, Santanu |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3296 - 3299 |
| a | 7.5051 ± 0.0016 Å |
| b | 12.37 ± 0.003 Å |
| c | 9.944 ± 0.003 Å |
| α | 90° |
| β | 99.383 ± 0.008° |
| γ | 90° |
| Cell volume | 910.8 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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