Information card for entry 7054132

Structure parameters

• Formula: C19 H15 F O
• Calculated formula: C19 H15 F O
• SMILES: C(c1ccccc1F)(c1ccccc1)(c1ccccc1)O
• Title of publication: The intramolecular C‒F⋯HO hydrogen bond of 2-fluorophenyldiphenylmethanol
• Authors of publication: Takemura, Hiroyuki; Kaneko, Megumi; Sako, Katsuya; Iwanaga, Tetsuo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2004
• a: 8.2379 ± 0.0003 Å
• b: 10.9417 ± 0.0004 Å
• c: 15.6797 ± 0.0004 Å
• α: 90°
• β: 93.2076 ± 0.0008°
• γ: 90°
• Cell volume: 1411.1 ± 0.08 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No