Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564276
Preview
| Coordinates | 1564276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl F2 N O |
|---|---|
| Calculated formula | C18 H14 Cl F2 N O |
| SMILES | Clc1cc(/C(=C/C2N(c3ccccc3)C(=O)C2(F)F)C)ccc1 |
| Title of publication | Copper-catalyzed [3+1] cyclization of cyclopropenes/diazo compounds and bromodifluoroacetamides: facile synthesis of α,α-difluoro-β-lactam derivatives |
| Authors of publication | Zhang, Mengru; Li, Hexin; Zhao, Jinbo; Li, Yan; Zhang, Qian |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.946 ± 0.007 Å |
| b | 11.711 ± 0.006 Å |
| c | 14.387 ± 0.008 Å |
| α | 70.47 ± 0.03° |
| β | 79.17 ± 0.04° |
| γ | 66.85 ± 0.03° |
| Cell volume | 1594.8 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 292.73 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1495 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267841 (current) | 2021-07-31 | cif/ Adding structures of 1564276 via cif-deposit CGI script. |
1564276.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.