Information card for entry 7219344

Structure parameters

• Formula: C176 H212 N2 O54 P4 S8
• Calculated formula: C176 H158 N2 O53.9998 P4 S8
• Title of publication: Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1526
• a: 17.707 ± 0.0002 Å
• b: 14.7731 ± 0.0002 Å
• c: 37.6605 ± 0.0004 Å
• α: 90°
• β: 101.434 ± 0.001°
• γ: 90°
• Cell volume: 9656 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1338
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No