Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573853
Preview
| Coordinates | 1573853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H154 Ca2 N4 O4 P4 |
|---|---|
| Calculated formula | C90 H154 Ca2 N4 O4 P4 |
| Title of publication | Tuning the Selectivity of P4 Reduction at Alkaline-Earth Metal Centres |
| Authors of publication | Thum, Stefan; Townrow, Oliver; Langer, Jens; Harder, Sjoerd |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.4588 ± 0.0002 Å |
| b | 23.0603 ± 0.0003 Å |
| c | 15.7858 ± 0.0002 Å |
| α | 90° |
| β | 111.861 ± 0.0018° |
| γ | 90° |
| Cell volume | 4547.04 ± 0.12 Å3 |
| Cell temperature | 99.98 ± 0.12 K |
| Ambient diffraction temperature | 99.98 ± 0.12 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1529 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 297604 (current) | 2025-02-06 | cif/ Adding structures of 1573851, 1573852, 1573853, 1573854, 1573855 via cif-deposit CGI script. |
1573853.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.