Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503931
Preview
| Coordinates | 1503931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 N2 O3 |
|---|---|
| Calculated formula | C19 H22 N2 O3 |
| SMILES | O[C@@]1([C@@H](N(=O)=O)[C@@H](N(CC1)Cc1ccccc1)c1ccccc1)C.O[C@]1([C@H](N(=O)=O)[C@H](N(CC1)Cc1ccccc1)c1ccccc1)C |
| Title of publication | One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction. |
| Authors of publication | Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 2333 - 2336 |
| a | 5.7787 ± 0.0005 Å |
| b | 10.6482 ± 0.001 Å |
| c | 14.3895 ± 0.0014 Å |
| α | 86.801 ± 0.002° |
| β | 78.749 ± 0.002° |
| γ | 78.606 ± 0.002° |
| Cell volume | 851.16 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503931.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503931.cif |
| 39199 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503930, 1503931, 1503932, 1503933, 1503934, 1503935, 1503936, 1503937, 1503938, 1503939, 1503940 via cif-deposit CGI script. |
1503931.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.