Information card for entry 7131751

Structure parameters

• Formula: C15 H20 O
• Calculated formula: C15 H20 O
• Title of publication: Preparation of new chiral diene ligands and Their Use in the Rhodium Catalyzed Asymmetric Annulation of 2-Formylarylboronic acid with Dialkylalkynes
• Authors of publication: Sun, Yu; Li, Yuanmeng; Wang, Xiuqi; Cao, Xu; Deng, Hongping; Bu, Xiaoli; Ma, Mengtao; Xue, Fei
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 4.7593 ± 0.0001 Å
• b: 16.235 ± 0.0004 Å
• c: 16.5153 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1276.09 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No