Information card for entry 7103037

Structure parameters

• Formula: C64 H77 O4
• Calculated formula: C64 H77 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: 14.94 ± 0.007 Å
• b: 20.167 ± 0.009 Å
• c: 19.074 ± 0.007 Å
• α: 90°
• β: 106.46 ± 0.04°
• γ: 90°
• Cell volume: 5511 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1345
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No