Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160219
Preview
| Coordinates | 7160219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H24 F4 N2 O2 |
|---|---|
| Calculated formula | C33 H24 F4 N2 O2 |
| Title of publication | Pd-Catalyzed ortho-/meta-C-H-annulation of biphenyl amines with enynes through non-rollover cyclometallation |
| Authors of publication | Undamatla, Suribabu; Naveen Kumar, Muniganti; Mahesh, Shivunapuram; Nanubolu, Jagadeesh Babu; Maddi, Sridhar Reddy |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 10.94 ± 0.005 Å |
| b | 16.898 ± 0.008 Å |
| c | 14.59 ± 0.008 Å |
| α | 90° |
| β | 104.697 ± 0.014° |
| γ | 90° |
| Cell volume | 2609 ± 2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1408 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295828 (current) | 2024-11-08 | cif/ Adding structures of 7160219 via cif-deposit CGI script. |
7160219.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.