Information card for entry 4334169

Structure parameters

• Formula: C41 H45 N3 O5 P2
• Calculated formula: C41 H45 N3 O5 P2
• SMILES: c1(cccc(n1=O)[C@@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1)[C@@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1.c1(cccc(n1=O)[C@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1)[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: 22.2568 ± 0.0018 Å
• b: 15.4841 ± 0.0013 Å
• c: 10.8479 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3738.5 ± 0.5 ų
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0757
• 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