Information card for entry 1504574

Structure parameters

• Formula: C42 H54 O10
• Calculated formula: C42 H54 O10
• Title of publication: Oxyfunctionalization of calixarene quinone rings
• Authors of publication: Troisi, Francesco; Citro, Lucia; Gaeta, Carmine; Gavuzzo, Enrico; Neri, Placido
• Journal of publication: Organic Letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 1393 - 1396
• a: 20.45 ± 0.01 Å
• b: 12.501 ± 0.003 Å
• c: 19.027 ± 0.008 Å
• α: 90°
• β: 125.3 ± 0.03°
• γ: 90°
• Cell volume: 3970 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No