Information card for entry 1514673

Structure parameters

• Formula: C12 H15 F3 O3
• Calculated formula: C12 H15 F3 O3
• Title of publication: Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands
• Authors of publication: Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2478
• a: 10.4133 ± 0.0003 Å
• b: 12.3601 ± 0.0004 Å
• c: 16.6001 ± 0.0006 Å
• α: 111.7 ± 0.002°
• β: 102.333 ± 0.002°
• γ: 93.499 ± 0.002°
• Cell volume: 1916.15 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.4204
• Weighted residual factors for all reflections included in the refinement: 0.4381
• Goodness-of-fit parameter for all reflections included in the refinement: 2.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No