Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512105
Preview
| Coordinates | 1512105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CP254PPP |
|---|---|
| Formula | C24 H27 N O4 S |
| Calculated formula | C24 H27 N O4 S |
| SMILES | S(=O)(=O)(c1ccccc1)/C=C/[C@]1(N(C(=O)CC[C@@H]1CC(=O)C)Cc1ccccc1)C.S(=O)(=O)(c1ccccc1)/C=C/[C@@]1(N(C(=O)CC[C@H]1CC(=O)C)Cc1ccccc1)C |
| Title of publication | Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates. |
| Authors of publication | Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 2814 - 2817 |
| a | 11.3759 ± 0.0012 Å |
| b | 11.6984 ± 0.0012 Å |
| c | 15.9768 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2126.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512105.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. |
1512105.cif |
| 87235 | 2013-07-14 | cif/ Adding structures of 1512105 via cif-deposit CGI script. |
1512105.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.