Information card for entry 2216435

Structure parameters

• Chemical name: 5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetramethoxycalix[4]arene tetrahydrofuran solvate
• Formula: C52 H72 O5
• Calculated formula: C52 H72 O5
• Title of publication: 5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetramethoxycalix[4]arene tetrahydrofuran solvate
• Authors of publication: Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4572 - o4573
• a: 16.9911 ± 0.0004 Å
• b: 19.7724 ± 0.0005 Å
• c: 28.553 ± 0.0007 Å
• α: 90°
• β: 90.824 ± 0.001°
• γ: 90°
• Cell volume: 9591.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.1826
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes