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Information card for entry 1546220
Preview
| Coordinates | 1546220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H19 N O3 |
|---|---|
| Calculated formula | C11 H19 N O3 |
| SMILES | O=C[C@@]1(CCCC([C@H]1CN(=O)=O)(C)C)C |
| Title of publication | Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction. |
| Authors of publication | Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2390 - 2393 |
| a | 7.784 ± 0.0002 Å |
| b | 9.7886 ± 0.0003 Å |
| c | 14.7958 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1127.36 ± 0.06 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197365 (current) | 2017-06-05 | cif/ Adding structures of 1546220 via cif-deposit CGI script. |
1546220.cif |
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