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Information card for entry 1555344
Preview
| Coordinates | 1555344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H19 N O2 |
|---|---|
| Calculated formula | C11 H19 N O2 |
| SMILES | O=C1N2[C@H](OC[C@@H]2[C@H](C1)C)C(C)(C)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 | 10.7069 ± 0.0007 Å |
| b | 10.8672 ± 0.0006 Å |
| c | 19.656 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2287.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555344.cif |
| 238520 | 2019-11-24 | cif/ Adding structures of 1555344 via cif-deposit CGI script. |
1555344.cif |
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Users of the data should acknowledge the original authors of the
structural data.