Information card for entry 4024877

Structure parameters

• Formula: C21 H18 O3
• Calculated formula: C21 H18 O3
• SMILES: c1ccccc1C(=O)[C@@H]1[C@@H](c2ccccc2)C2=C(CCCC2=O)O1
• Title of publication: Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction
• Authors of publication: Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7403 - 7406
• a: 8.698 ± 0.0011 Å
• b: 9.5228 ± 0.0012 Å
• c: 20.257 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No