Information card for entry 7111701

Structure parameters

• Common name: tetraspirocyclooctyl
• Formula: C48 H64 O4
• Calculated formula: C48 H64 O4
• SMILES: c12ccc(C3(CCCCCCC3)c3ccc(C4(CCCCCCC4)c4ccc(C5(CCCCCCC5)c5ccc(C61CCCCCCC6)o5)o4)o3)o2
• 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: 12.3313 ± 0.0005 Å
• b: 13.3044 ± 0.0004 Å
• c: 13.9476 ± 0.0004 Å
• α: 114.622 ± 0.002°
• β: 95.568 ± 0.002°
• γ: 93.06 ± 0.002°
• Cell volume: 2059.22 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No