Information card for entry 7103036

Structure parameters

• Formula: C56 H80 O4
• Calculated formula: C56 H80 O4
• Title of publication: Simple synthesis of calix[4]arenes in a 1,2-alternate conformation.
• Authors of publication: Lhoták, Pavel; Bílá, Alexandra; Budka, Jan; Pojarová, Michaela; Stibor, Ivan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1662 - 1664
• a: 9.771 ± 0.004 Å
• b: 13.056 ± 0.005 Å
• c: 20.194 ± 0.01 Å
• α: 79.31 ± 0.04°
• β: 80.22 ± 0.05°
• γ: 84.12 ± 0.05°
• Cell volume: 2488 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.3084
• Weighted residual factors for all reflections included in the refinement: 0.3463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No