Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134794
Preview
| Coordinates | 7134794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H38 B F2 N5 |
|---|---|
| Calculated formula | C40 H38 B F2 N5 |
| Title of publication | Introducing the substituted azobispyrrole framework: synthesis and properties. |
| Authors of publication | Alkaş, Adil; Diaz-Rodriguez, Roberto M; Sequeira, Steve O.; Hilborn, James W.; Atansi, Mmasinachi; Sullivan, Em C.; Brown, Emily B.; Gapare, Rosinah Liandrah; Mutus, Bulent; Robertson, Katherine N.; Thompson, Alison |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 22.8308 ± 0.0005 Å |
| b | 19.6331 ± 0.0005 Å |
| c | 7.717 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3459.06 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300309 (current) | 2025-07-04 | cif/ Adding structures of 7134793, 7134794, 7134795 via cif-deposit CGI script. |
7134794.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.