Information card for entry 1555965

Structure parameters

• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: c1ccccc1/C=C/c1ccc(cc1)[C@@H]1CC=CCO1
• Title of publication: E- and Z-Selective Transfer Semihydrogenation of Alkynes Catalyzed by Standard Ruthenium Olefin Metathesis Catalysts.
• Authors of publication: Kusy, Rafał; Grela, Karol
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6196 - 6199
• a: 5.9076 ± 0.0004 Å
• b: 8.2748 ± 0.0006 Å
• c: 28.655 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1400.8 ± 0.2 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0545
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No