Information card for entry 7114969

Structure parameters

• Common name: p-benzylcalix[4]arene
• Chemical name: tetra-benzyl-tetra-hydroxycalix[4]arene
• Formula: C56 H48 O4.5
• Calculated formula: C56 H48 O4.5
• Title of publication: Synthesis of p-benzylcalix[4]arene and its sulfonated water soluble derivative
• Authors of publication: Makha, Mohamed; Raston, Colin L.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 2470
• a: 19.07 ± 0.003 Å
• b: 19.07 ± 0.003 Å
• c: 5.6631 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No