Information card for entry 7102628

Structure parameters

• Formula: C100 H101 O26 P3 S4
• Calculated formula: C100 H101 O26 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: 13.562 ± 0.002 Å
• b: 15.255 ± 0.002 Å
• c: 23.895 ± 0.003 Å
• α: 73.796 ± 0.002°
• β: 87.726 ± 0.002°
• γ: 85.04 ± 0.002°
• Cell volume: 4728.8 ± 1.1 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: 0.1203
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No