Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7151100
Preview
| Coordinates | 7151100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C38 H43 N O4 |
|---|---|
| Calculated formula | C38 H43 N O4 |
| SMILES | O(C(=O)[C@@H]([C@@H](c1ccccc1)CC(=O)OC)[C@@H](N([C@H](c1ccccc1)C)Cc1ccccc1)c1ccccc1)C(C)(C)C |
| Title of publication | Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones. |
| Authors of publication | Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 1405 - 1415 |
| a | 11.264 ± 0.0002 Å |
| b | 16.634 ± 0.0003 Å |
| c | 17.048 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3194.2 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0253 |
| Weighted residual factors for all reflections included in the refinement | 0.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9146 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151100.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151100.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151100.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151100.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151100.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.