Information card for entry 7106618

Structure parameters

• Formula: C24 H49 N6 O12 P
• Calculated formula: C24 H49 N6 O12 P
• SMILES: P(=O)(CNC(=O)CNC(=O)OC(C)(C)C)(CNC(=O)CNC(=O)OC(C)(C)C)CNC(=O)CNC(=O)OC(C)(C)C.O.O
• Title of publication: Lithium cation enhances anion binding in a tripodal phosphine oxide-based ditopic receptor
• Authors of publication: Jesse V. Gavette; Juven Lara; Orion B. Berryman; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7653
• a: 11.1651 ± 0.0019 Å
• b: 13.264 ± 0.002 Å
• c: 13.36 ± 0.002 Å
• α: 93.405 ± 0.003°
• β: 109.288 ± 0.003°
• γ: 111.239 ± 0.003°
• Cell volume: 1704.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No