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Information card for entry 1542393
Preview
| Coordinates | 1542393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Br O7 P |
|---|---|
| Calculated formula | C20 H22 Br O7 P |
| SMILES | Brc1ccc(cc1)[C@@H](OP(=O)(OC)OC)[C@@](O)(C(=O)OC)/C=C/c1ccccc1 |
| Title of publication | Asymmetric Organocatalytic Reductive Coupling Reactions between Benzylidene Pyruvates and Aldehydes. |
| Authors of publication | Horwitz, Matthew A.; Zavesky, Blane P.; Martinez-Alvarado, Jesus I; Johnson, Jeffrey S. |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 36 - 39 |
| a | 5.575 ± 0.0004 Å |
| b | 7.9619 ± 0.0005 Å |
| c | 23.2886 ± 0.0015 Å |
| α | 90° |
| β | 90.492 ± 0.003° |
| γ | 90° |
| Cell volume | 1033.69 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175753 (current) | 2016-02-04 | cif/ Adding structures of 1542393 via cif-deposit CGI script. |
1542393.cif |
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Users of the data should acknowledge the original authors of the
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