Information card for entry 4023607

Structure parameters

• Formula: C25 H23 N O6
• Calculated formula: C25 H23 N O6
• SMILES: O1[C@@H]([C@H]([C@H]([C@@H]1c1ccc(cc1)OC)C)OC(=O)c1ccc(cc1)N(=O)=O)c1ccccc1.O1[C@H]([C@@H]([C@@H]([C@H]1c1ccc(cc1)OC)C)OC(=O)c1ccc(cc1)N(=O)=O)c1ccccc1
• 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: 9.8258 ± 0.0017 Å
• b: 10.8177 ± 0.0019 Å
• c: 11.603 ± 0.002 Å
• α: 65.954 ± 0.005°
• β: 74.125 ± 0.006°
• γ: 83.048 ± 0.005°
• Cell volume: 1083.2 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No