Information card for entry 4023606

Structure parameters

• Formula: C13 H18 O3
• Calculated formula: C13 H18 O3
• SMILES: O1[C@H]([C@@H]([C@@H]([C@H]1c1ccc(cc1)OC)C)O)C
• Title of publication: Stereoselective Synthesis of 3-Alkyl-2-aryltetrahydrofuran-4-ols: Total Synthesis of (\±)-Paulownin
• Authors of publication: Steven R. Angle; Inchang Choi; Fook S. Tham
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6268 - 6278
• a: 5.1187 ± 0.0004 Å
• b: 8.2508 ± 0.0007 Å
• c: 28.156 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1189.14 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No