Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160606
Preview
| Coordinates | 7160606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H45 N O2 |
|---|---|
| Calculated formula | C38 H45 N O2 |
| Title of publication | Triple role of boronic acid as a catalyst in the alkylation of quinoline to functionalized tetrahydroquinoline |
| Authors of publication | Senapati, Siddhartha Kumar; Borah, Asish; Hazarika, Swagata; Das, Animesh |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.629 ± 0.003 Å |
| b | 12.102 ± 0.003 Å |
| c | 13.779 ± 0.003 Å |
| α | 68.406 ± 0.006° |
| β | 85.378 ± 0.007° |
| γ | 66.181 ± 0.006° |
| Cell volume | 1644.2 ± 0.7 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300181 (current) | 2025-06-25 | cif/ Adding structures of 7160606 via cif-deposit CGI script. |
7160606.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.