Information card for entry 7154368

Structure parameters

• Formula: C23 H22 O6
• Calculated formula: C23 H22 O6
• SMILES: O1C(=C(CC1(C(=O)c1ccccc1)C(=O)OCC)C(=O)OCC)c1ccccc1
• Title of publication: Copper-mediated tandem reaction of β-ketoesters/ketones with tertiary amines for the synthesis of 2,3-dihydrofurans.
• Authors of publication: Guo, Shengmei; Lu, Lin; Gong, Jiuhan; Zhu, Zheng; Xu, Feng; Wei, Zhenhong; Cai, Hu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4426 - 4429
• a: 8.8905 ± 0.0005 Å
• b: 11.0671 ± 0.0005 Å
• c: 11.5086 ± 0.0006 Å
• α: 89.95 ± 0.002°
• β: 75.602 ± 0.002°
• γ: 72.86 ± 0.002°
• Cell volume: 1044.87 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No