Information card for entry 7111704

Structure parameters

• Common name: octabutyl
• Formula: C52 H80 S4
• Calculated formula: C52 H80 S4
• 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: 8.9122 ± 0.0002 Å
• b: 14.8833 ± 0.0004 Å
• c: 20.4299 ± 0.0005 Å
• α: 105.385 ± 0.002°
• β: 98.135 ± 0.002°
• γ: 92.298 ± 0.002°
• Cell volume: 2577.91 ± 0.11 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: 0.1107
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No