Information card for entry 4020077

Structure parameters

• Formula: C14 H17 F3 O2
• Calculated formula: C14 H17 F3 O2
• Authors of publication: Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1262 - 1268
• a: 5.8916 ± 0.0004 Å
• b: 8.8285 ± 0.0005 Å
• c: 26.731 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.39 ± 0.15 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No