Information card for entry 7109962

Structure parameters

• Formula: C23 H41 O3 P
• Calculated formula: C23 H41 O3 P
• Title of publication: Introduction of hydrophilic groups onto the ortho-position of benzoate anions induced phase separation of the corresponding ionic liquids with water
• Authors of publication: Takashi Ando; Yuki Kohno; Nobuhumi Nakamura; Hiroyuki Ohno
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10248
• a: 9.9732 ± 0.0002 Å
• b: 15.1013 ± 0.0003 Å
• c: 16.27 ± 0.0003 Å
• α: 90°
• β: 102.662 ± 0.001°
• γ: 90°
• Cell volume: 2390.8 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No