Information card for entry 4518766

Structure parameters

• Formula: C21 H20 O
• Calculated formula: C21 H20 O
• SMILES: O=C1C=C([C@]2(CC1)C(=C)CCC2)c1cc2ccccc2cc1
• 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: 6.9069 ± 0.0002 Å
• b: 7.5708 ± 0.0002 Å
• c: 15.0339 ± 0.0004 Å
• α: 89.354 ± 0.001°
• β: 84.929 ± 0.001°
• γ: 87.912 ± 0.001°
• Cell volume: 782.51 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No