Information card for entry 4115459

Structure parameters

• Formula: C27 H42 O2
• Calculated formula: C27 H42 O2
• Title of publication: Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3
• Authors of publication: Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 2450 - 2451
• a: 6.0506 ± 0.0006 Å
• b: 17.507 ± 0.002 Å
• c: 22.199 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No