Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4334168
Preview
Coordinates | 4334168.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H45 N3 O5 P2 |
---|---|
Calculated formula | C41 H45 N3 O5 P2 |
SMILES | c1(cccc([C@H](C(=O)N(CC)CC)P(=O)(c2ccccc2)c2ccccc2)n1=O)[C@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1.c1(cccc([C@@H](C(=O)N(CC)CC)P(=O)(c2ccccc2)c2ccccc2)n1=O)[C@@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms |
Authors of publication | Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 3063 - 3083 |
a | 22.2182 ± 0.0016 Å |
b | 15.4755 ± 0.0012 Å |
c | 10.8569 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3733 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4334168.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.