Information card for entry 4514823

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• Title of publication: Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes
• Authors of publication: Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 8555
• a: 12.827 ± 0.002 Å
• b: 20.383 ± 0.003 Å
• c: 5.0473 ± 0.0008 Å
• α: 90°
• β: 96.027 ± 0.009°
• γ: 90°
• Cell volume: 1312.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.1428
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.2991
• Weighted residual factors for all reflections included in the refinement: 0.3188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No