Information card for entry 1559756

Structure parameters

• Chemical name: 4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol
• Formula: C28 H24 F N O2
• Calculated formula: C28 H24 F N O2
• SMILES: Fc1cc(/C=N/[C@@H](C(O)(c2ccccc2)c2ccccc2)Cc2ccccc2)c(O)cc1
• Title of publication: 4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol
• Authors of publication: Sha, Fanrui; Johnson, Adam R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: x201580
• a: 6.0147 ± 0.0002 Å
• b: 18.8172 ± 0.0004 Å
• c: 20.453 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2314.87 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes