Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503404
Preview
| Coordinates | 1503404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 N2 O4 |
|---|---|
| Calculated formula | C22 H22 N2 O4 |
| SMILES | c1(c(cc2[C@H]3[C@@H]4C(=O)N(C(=O)[C@@H]4CN3CCc2c1)c1ccccc1)OC)OC.c1(c(cc2[C@@H]3[C@H]4C(=O)N(C(=O)[C@H]4CN3CCc2c1)c1ccccc1)OC)OC |
| Title of publication | Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization. |
| Authors of publication | Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 1396 - 1399 |
| a | 8.95 ± 0.003 Å |
| b | 14.718 ± 0.003 Å |
| c | 15.388 ± 0.004 Å |
| α | 102.52 ± 0.02° |
| β | 92.08 ± 0.03° |
| γ | 105.12 ± 0.02° |
| Cell volume | 1901 ± 0.9 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 | 0.2189 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2134 |
| Weighted residual factors for all reflections included in the refinement | 0.2744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 1.54176 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503404.cif |
| 176729 | 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. |
1503404.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503404.cif |
| 37277 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503404 via cif-deposit CGI script. |
1503404.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.