Information card for entry 7111705

Structure parameters

• Common name: octabutyl
• Formula: C52 H80 O4
• Calculated formula: C52 H80 O4
• Title of publication: A novel synthesis of calix[4]thiophenes and calix[4]furans
• Authors of publication: Lee, Gon-Ann; Wang, Wen-Chieh; Shieh, Minghuey; Kuo, Ting-Shen
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 5009 - 5011
• a: 12.969 ± 0.002 Å
• b: 14.641 ± 0.002 Å
• c: 15.502 ± 0.002 Å
• α: 65.333 ± 0.009°
• β: 68.547 ± 0.009°
• γ: 82.873 ± 0.009°
• Cell volume: 2488.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No