Information card for entry 4020078

Structure parameters

• Formula: C13 H17 F O2
• Calculated formula: C13 H17 F 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: 17.069 ± 0.006 Å
• b: 5.886 ± 0.002 Å
• c: 12.681 ± 0.005 Å
• α: 90°
• β: 102.407 ± 0.003°
• γ: 90°
• Cell volume: 1244.3 ± 0.8 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No