Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120805
Preview
| Coordinates | 7120805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | KC-695 |
|---|---|
| Formula | C26 H20 Cl N O2 |
| Calculated formula | C26 H20 Cl N O2 |
| SMILES | Clc1ccc(C2Cc3c4ccccc4nc(c3C2)C(=O)OCc2ccccc2)cc1 |
| Title of publication | A Serendipitous Cascade of Rhodium Vinylcarbenoids with Aminochalcones for the Synthesis of Functionalized Quinolines |
| Authors of publication | Chinthapally, Kiran; Massaro, Nicholas P.; Padgett, Haylee L.; Sharma, Indrajeet |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 7.528 ± 0.003 Å |
| b | 9.407 ± 0.003 Å |
| c | 15.201 ± 0.005 Å |
| α | 92.924 ± 0.005° |
| β | 101.019 ± 0.005° |
| γ | 110.77 ± 0.005° |
| Cell volume | 979.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1419 |
| Weighted residual factors for all reflections included in the refinement | 0.1543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202164 (current) | 2017-10-20 | cif/ Adding structures of 7120805, 7120806 via cif-deposit CGI script. |
7120805.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.