Information card for entry 1560073

Structure parameters

• Chemical name: (R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol
• Formula: C18 H18 O3
• Calculated formula: C18 H18 O3
• SMILES: O(C)c1ccc(/C=C2/[C@](O)(c3ccccc3)COC2)cc1
• Title of publication: Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME
• Authors of publication: Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2306 - 2315
• a: 5.656 ± 0.0003 Å
• b: 8.202 ± 0.0004 Å
• c: 16.2422 ± 0.0009 Å
• α: 90°
• β: 92.949 ± 0.002°
• γ: 90°
• Cell volume: 752.49 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No