Information card for entry 7102627

Structure parameters

• Formula: C100 H105 O28 P3 S4
• Calculated formula: C100 H105 O28 P3 S4
• Title of publication: Exploiting phenyl embraces and pi-stacking in the assembly of arrays of tetraphenylphosphonium p-sulfonatocalix[4]arene.
• Authors of publication: Makha, Mohamed; Raston, Colin L; Sobolev, Alexandre N; White, Allan H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1066 - 1067
• a: 13.775 ± 0.003 Å
• b: 18.262 ± 0.004 Å
• c: 21.173 ± 0.004 Å
• α: 79.456 ± 0.003°
• β: 89.192 ± 0.003°
• γ: 68.566 ± 0.003°
• Cell volume: 4866.1 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1419
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No