Information card for entry 7127223

Structure parameters

• Formula: C17 H21 N O7
• Calculated formula: C17 H21 N O7
• SMILES: O(c1ccc([C@H]2[C@](N(=O)=O)([C@@H](CO2)C=C)C(=O)OCC)cc1OC)C
• 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: 6.921 ± 0.006 Å
• b: 10.91 ± 0.03 Å
• c: 24.068 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1817 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No