Information card for entry 7114798

Structure parameters

• Common name: resorcarene
• Chemical name: 4,6,16,18-Tetrahydroxy-10,12,22,24-tetrakis- (mesitylsulfonyloxy)-2,8,14,20-(tetramethyl-calix[4]arene
• Formula: C138.8 H142.5 O37.35 S8
• Calculated formula: C138.8 H142.5 O37.35 S8
• Title of publication: Folding and dimerization of resorcarene tetrasulfonates
• Authors of publication: Shivanyuk, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1472
• a: 18.1461 ± 0.0003 Å
• b: 14.8718 ± 0.0001 Å
• c: 23.3306 ± 0.0004 Å
• α: 90°
• β: 92.654 ± 0.001°
• γ: 90°
• Cell volume: 6289.36 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No