Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7719032
Preview
Coordinates | 7719032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H14 B Br2 F2 N3 |
---|---|
Calculated formula | C20 H14 B Br2 F2 N3 |
Title of publication | Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons. |
Authors of publication | Chauhan, Pinky; Ravikanth, Mangalampalli |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2025 |
Journal volume | 54 |
Journal issue | 18 |
Pages of publication | 7465 - 7474 |
a | 10.8062 ± 0.0003 Å |
b | 21.3167 ± 0.0005 Å |
c | 8.1321 ± 0.0002 Å |
α | 90° |
β | 98.24 ± 0.002° |
γ | 90° |
Cell volume | 1853.91 ± 0.08 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300365 (current) | 2025-07-05 | cif/ Adding structures of 7719031, 7719032, 7719033, 7719034, 7719035 via cif-deposit CGI script. |
7719032.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.