Information card for entry 7127224

Structure parameters

• Formula: C13 H12 O5
• Calculated formula: C13 H12 O5
• Title of publication: Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.
• Authors of publication: Zhao, Can; Khan, Ijaz; Zhang, Yong Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12431 - 12434
• a: 6.6885 ± 0.0003 Å
• b: 7.1093 ± 0.0003 Å
• c: 24.188 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1150.15 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No