Information card for entry 4103179

Structure parameters

• Formula: C23 H22
• Calculated formula: C23 H22
• SMILES: C(=C(C)c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes
• Authors of publication: Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13594 - 13595
• a: 31.2753 ± 0.001 Å
• b: 5.7604 ± 0.0002 Å
• c: 20.1748 ± 0.0011 Å
• α: 90°
• β: 103.369 ± 0.004°
• γ: 90°
• Cell volume: 3536.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 2
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No