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Information card for entry 1555346
Preview
| Coordinates | 1555346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H15 N O2 |
|---|---|
| Calculated formula | C9 H15 N O2 |
| SMILES | N12[C@H](COC1(C)C)[C@@H](CC2=O)C |
| Title of publication | Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams. |
| Authors of publication | Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5204 - 5207 |
| a | 6.1254 ± 0.0003 Å |
| b | 6.9441 ± 0.0004 Å |
| c | 10.8047 ± 0.0006 Å |
| α | 90° |
| β | 102.426 ± 0.002° |
| γ | 90° |
| Cell volume | 448.82 ± 0.04 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238524 (current) | 2019-11-24 | cif/ Adding structures of 1555346 via cif-deposit CGI script. |
1555346.cif |
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Users of the data should acknowledge the original authors of the
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