Information card for entry 1519755

Structure parameters

• Formula: C15 H16 O4
• Calculated formula: C15 H16 O4
• SMILES: o1c(cc(c1C)C(=O)OCC)c1ccc(OC)cc1
• Title of publication: Copper-Catalyzed Coupling Cyclization of gem-Difluoroalkenes with Activated Methylene Carbonyl Compounds: Facile Domino Access to Polysubstituted Furans.
• Authors of publication: Zhang, Xuxue; Dai, Wenpeng; Wu, Wei; Cao, Song
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2708 - 2711
• a: 7.4665 ± 0.0008 Å
• b: 21.583 ± 0.002 Å
• c: 8.4033 ± 0.0009 Å
• α: 90°
• β: 107.586 ± 0.002°
• γ: 90°
• Cell volume: 1290.9 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No