Information card for entry 4123477

Structure parameters

• Formula: C25 H26
• Calculated formula: C25 H26
• SMILES: C(=C(\CCCC)c1ccccc1)(\c1cc(ccc1)C)c1ccccc1
• Title of publication: Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.
• Authors of publication: Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3189 - 3192
• a: 17.56 ± 0.003 Å
• b: 5.7255 ± 0.001 Å
• c: 18.734 ± 0.004 Å
• α: 90°
• β: 92.611 ± 0.007°
• γ: 90°
• Cell volume: 1881.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No