Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113427
Preview
Coordinates | 7113427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 O3 P S |
---|---|
Calculated formula | C26 H35 O3 P S |
SMILES | S=[P@]1([C@H]2[C@H]3[C@@H]([C@@H]1C(=C2C)C)[C@@H](OC3=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)c1ccccc1 |
Title of publication | P-chiral phosphorus heterocycles: a straightforward synthesis |
Authors of publication | Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 5826 |
a | 7.5433 ± 0.0002 Å |
b | 14.0457 ± 0.0003 Å |
c | 24.3817 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2583.26 ± 0.1 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113427.html
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.