Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543898
Preview
| Coordinates | 1543898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cl N2 O5 |
|---|---|
| Calculated formula | C18 H17 Cl N2 O5 |
| SMILES | Clc1ccc(cc1)C(=O)N1C(=O)N(C=C(C1=O)C)[C@@H]1C[C@H]1C(=O)OCC |
| Title of publication | Enantioselective Intermolecular Cyclopropanations for the Synthesis of Chiral Pyrimidine Carbocyclic Nucleosides |
| Authors of publication | Xie, Ming-Sheng; Zhou, Peng; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming |
| Journal of publication | Organic Letters |
| Year of publication | 2016 |
| a | 5.0868 ± 0.001 Å |
| b | 11.793 ± 0.002 Å |
| c | 30.515 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1830.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1122 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.2146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185835 (current) | 2016-08-17 | cif/ Adding structures of 1543898 via cif-deposit CGI script. |
1543898.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.