Information card for entry 7238064

Structure parameters

• Chemical name: 4-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]- 2-bromo-3-fluoro-5-methoxy-6-piperidylpyridine
• Formula: C14 H13 Br F8 N2 O
• Calculated formula: C14 H13 Br F8 N2 O
• Title of publication: Polyhalogenated heterocyclic compounds. Part 47. Syntheses of multi-substituted pyridine derivatives from pentafluoropyridine
• Authors of publication: Richard D. Chambers; Philip R. Hoskin; Graham Sandford; Dmitrii S. Yufit; Judith A. K. Howard
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Pages of publication: 2788 - 2795
• a: 10.53 ± 0.002 Å
• b: 13.802 ± 0.003 Å
• c: 11.485 ± 0.002 Å
• α: 90°
• β: 90.86 ± 0.03°
• γ: 90°
• Cell volume: 1669 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No