Information card for entry 4514172

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• SMILES: O=C(OCC)C([C@H](/C=C/c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles
• Authors of publication: Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Pages of publication: 5693
• a: 8.4622 ± 0.0007 Å
• b: 9.685 ± 0.0008 Å
• c: 22.9564 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.4 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0476
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No