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Information card for entry 4334168
Preview
Coordinates | 4334168.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H45 N3 O5 P2 |
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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 |
Revision | Date | Message | Files |
---|---|---|---|
270822 (current) | 2021-11-23 | cif/4: Fixing Z values and formulae |
4334168.cif |
179444 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/41. |
4334168.cif |
99982 | 2014-02-04 | cif/ Adding structures of 4334168 via cif-deposit CGI script. |
4334168.cif |
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Users of the data should acknowledge the original authors of the
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