Information card for entry 7209819

Structure parameters

• Common name: 2,3,5,6-tetrafluoropyridine
• Formula: C5 H F4 N
• Calculated formula: C5 H F4 N
• SMILES: c1(c(cc(c(n1)F)F)F)F
• Title of publication: Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine
• Authors of publication: Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3536
• a: 6.6796 ± 0.0002 Å
• b: 7.6493 ± 0.0003 Å
• c: 10.2128 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 521.82 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections included in the refinement: 0.0221
• RFsqd: 0.0184
• Goodness-of-fit parameter for all reflections included in the refinement: 2.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No