Information card for entry 4518764

Structure parameters

• Formula: C24 H25 N O3
• Calculated formula: C24 H25 N O3
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1[C@@H](CC1=C2C(=O)CC[C@]21CCCC2=C)C)c1ccccc1
• Title of publication: Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex
• Authors of publication: Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 6865 - 6871
• a: 11.2079 ± 0.0002 Å
• b: 7.4007 ± 0.0001 Å
• c: 12.3548 ± 0.0002 Å
• α: 90°
• β: 107.452 ± 0.001°
• γ: 90°
• Cell volume: 977.61 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No