Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160446
Preview
| Coordinates | 7160446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O2 |
|---|---|
| Calculated formula | C21 H19 N O2 |
| Title of publication | Electrochemically Promoted Tandem Cyclization of Functionalized Methylenecyclopropanes: Synthesis of Tetracyclic Benzazepine Derivatives |
| Authors of publication | Li, Min; Wei, Yin; Shi, Min |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.6372 ± 0.0004 Å |
| b | 18.5055 ± 0.0009 Å |
| c | 12.0312 ± 0.0006 Å |
| α | 90° |
| β | 107.348 ± 0.002° |
| γ | 90° |
| Cell volume | 1623.02 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298571 (current) | 2025-03-25 | cif/ Adding structures of 7160446 via cif-deposit CGI script. |
7160446.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.