Information card for entry 4020092

Structure parameters

• Formula: C9 H14 F3 N O3
• Calculated formula: C9 H14 F3 N O3
• Authors of publication: Gary A. Molander; Elizabeth Pollina Cormier
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2622 - 2626
• a: 7.545 ± 0.002 Å
• b: 17.79 ± 0.006 Å
• c: 8.415 ± 0.003 Å
• α: 90°
• β: 91.146 ± 0.009°
• γ: 90°
• Cell volume: 1129.3 ± 0.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No