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Information card for entry 1555343
Preview
| Coordinates | 1555343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H21 N O2 |
|---|---|
| Calculated formula | C13 H21 N O2 |
| SMILES | C1CCCCC21N1[C@H](CO2)[C@@H](CC1=O)CC |
| 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 | 6.0749 ± 0.0007 Å |
| b | 8.2818 ± 0.0009 Å |
| c | 25.017 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1258.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1302 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238519 (current) | 2019-11-24 | cif/ Adding structures of 1555343 via cif-deposit CGI script. |
1555343.cif |
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