Information card for entry 1551010

Structure parameters

• Formula: C16 H19 F O2
• Calculated formula: C16 H19 F O2
• SMILES: Fc1cccc(c1C(=O)O)C(=C=C(C)C)CCCC
• Title of publication: Ruthenium(II)-Catalyzed C-H Allenylation-Based Approach to Allenoic Acids
• Authors of publication: Wu, Xiaoyan; Fan, Junjie; Fu, Chunling; Ma, Shengming
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.7724 ± 0.0013 Å
• b: 15.7829 ± 0.0012 Å
• c: 9.9065 ± 0.0012 Å
• α: 90°
• β: 116.778 ± 0.015°
• γ: 90°
• Cell volume: 1503.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No