Information card for entry 4027568

Structure parameters

• Formula: C19 H21 F O
• Calculated formula: C19 H21 F O
• SMILES: F/C(=C\C)[C@H]([C@@H](O)c1ccccc1)CCc1ccccc1.F/C(=C\C)[C@@H]([C@H](O)c1ccccc1)CCc1ccccc1
• Title of publication: Regio- and Diastereoselective Nickel-Catalyzed Allylation of Aromatic Aldehydes with α-Halo-β,β-difluoropropene Derivatives
• Authors of publication: Xiaowei Lin; Feng Zheng; Feng-Ling Qing
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8696 - 8704
• a: 28.679 ± 0.002 Å
• b: 5.3909 ± 0.0004 Å
• c: 21.5262 ± 0.0016 Å
• α: 90°
• β: 106.523 ± 0.002°
• γ: 90°
• Cell volume: 3190.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No