Information card for entry 4122301

Structure parameters

• Formula: C27 H33 B O2
• Calculated formula: C27 H33 B O2
• SMILES: [O]1=C(C(=C(c2ccccc2)[B]21C1CCCC2CCC1)CCc1ccccc1)OCC
• Title of publication: Phosphine-catalyzed anti-carboboration of alkynoates with alkyl-, alkenyl-, and arylboranes.
• Authors of publication: Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10605 - 10608
• a: 10.023 ± 0.014 Å
• b: 10.902 ± 0.017 Å
• c: 11.848 ± 0.017 Å
• α: 108.72 ± 0.03°
• β: 92.751 ± 0.003°
• γ: 109.02 ± 0.03°
• Cell volume: 1142 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No