Information card for entry 7117970

Structure parameters

• Formula: C18 H27 B O2
• Calculated formula: C18 H27 B O2
• SMILES: O1B(/C(c2ccccc2)=C/C(C)(C)C)OC(C1(C)C)(C)C
• Title of publication: Correction: Highly regio- and stereoselective synthesis of alkenylboronic esters by copper-catalyzed boron additions to disubstituted alkynes
• Authors of publication: Hye Ryung Kim; Jaesook Yun
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15600
• a: 12.301 ± 0.0016 Å
• b: 6.124 ± 0.0008 Å
• c: 24.187 ± 0.003 Å
• α: 90°
• β: 94.165 ± 0.007°
• γ: 90°
• Cell volume: 1817.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0853
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No