Information card for entry 2009863

Structure parameters

• Formula: C15 H15 F O2
• Calculated formula: C15 H15 F O2
• SMILES: c1(ccccc1)[C@@H]([C@H]([C@H](c1ccccc1)O)O)F
• Title of publication: <i>threo</i>-3-Fluoro-2-hydroxy-1,3-diphenyl-1-propanone and (1<i>RS</i>,2<i>RS</i>,3<i>RS</i>)-3-fluoro-1,3-diphenyl-1,2-propanediol
• Authors of publication: Stomberg, R.; Li, S.; Lundquist, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1145 - 1148
• a: 5.325 ± 0.002 Å
• b: 9.9 ± 0.003 Å
• c: 23.778 ± 0.002 Å
• α: 90°
• β: 95.47 ± 0.01°
• γ: 90°
• Cell volume: 1247.8 ± 0.6 ų
• Cell temperature: 296 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No