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Information card for entry 1550740
Preview
| Coordinates | 1550740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H37 O5 P |
|---|---|
| Calculated formula | C30 H37 O5 P |
| SMILES | [P@@](=O)(c1ccccc1O)(C12CC3CC(CC(C1)C3)C2)c1ccccc1OCC(=C)C(=O)OC(C)(C)C |
| Title of publication | Access to P-Chiral Phosphine Oxides by Enantioselective Allylic Alkylation of Bisphenols |
| Authors of publication | Yang, Guohui; Li, Yao; Li, Xin; Cheng, Jin-Pei |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 12.027 ± 0.005 Å |
| b | 15.901 ± 0.007 Å |
| c | 13.857 ± 0.006 Å |
| α | 90° |
| β | 91.391 ± 0.009° |
| γ | 90° |
| Cell volume | 2649 ± 2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1449 |
| Residual factor for significantly intense reflections | 0.1225 |
| Weighted residual factors for significantly intense reflections | 0.3363 |
| Weighted residual factors for all reflections included in the refinement | 0.3641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214097 (current) | 2019-03-13 | cif/ Adding structures of 1550740 via cif-deposit CGI script. |
1550740.cif |
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Users of the data should acknowledge the original authors of the
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