Information card for entry 8104914

Structure parameters

• Common name: 2,6-difluorophenol
• Chemical name: 2,6-difluorophenol
• Formula: C6 H4 F2 O
• Calculated formula: C6 H4 F2 O
• Title of publication: The crystal structure of 2,6-difluorophenol, C6H4F2O
• Authors of publication: Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 177 - 178
• a: 4.9287 ± 0.0005 Å
• b: 10.1752 ± 0.0008 Å
• c: 10.9156 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 547.42 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0264
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No