Information card for entry 4024875

Structure parameters

• Formula: C22 H21 N O4
• Calculated formula: C22 H21 N O4
• SMILES: O1C2=C(C(=O)CC(C2)(C)C)[C@@H](c2ccccc2)[C@@H]1c1ccc(cc1)N(=O)=O.O1C2=C(C(=O)CC(C2)(C)C)[C@H](c2ccccc2)[C@H]1c1ccc(cc1)N(=O)=O
• 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: 12.645 ± 0.0018 Å
• b: 11.5032 ± 0.0016 Å
• c: 13.9685 ± 0.0019 Å
• α: 90°
• β: 109.305 ± 0.002°
• γ: 90°
• Cell volume: 1917.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No