Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158424
Preview
Coordinates | 7158424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 Se2 |
---|---|
Calculated formula | C21 H24 Se2 |
Title of publication | Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides. |
Authors of publication | Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 48 |
Pages of publication | 10565 - 10569 |
a | 9.1936 ± 0.0002 Å |
b | 12.7735 ± 0.0003 Å |
c | 17.6722 ± 0.0004 Å |
α | 73.363 ± 0.002° |
β | 79.2638 ± 0.0018° |
γ | 71.888 ± 0.002° |
Cell volume | 1879.11 ± 0.08 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0314 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271875 (current) | 2022-01-06 | cif/ Updating files of 7158423, 7158424 Original log message: Adding full bibliography for 7158423--7158424.cif. |
7158424.cif |
270954 | 2021-12-01 | cif/ Adding structures of 7158423, 7158424 via cif-deposit CGI script. |
7158424.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.