Information card for entry 2019843

Structure parameters

• Chemical name: (<i>E</i>)-Acetophenone <i>O</i>-diphenylphosphoryl oxime
• Formula: C20 H18 N O2 P
• Calculated formula: C20 H18 N O2 P
• SMILES: P(=O)(O/N=C(C)/c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and crystal structure of a novel prochiral ketoimine: (E)-acetophenoneO-diphenylphosphoryl oxime
• Authors of publication: Majer, Sean H.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• a: 18.035 ± 0.002 Å
• b: 5.9874 ± 0.0007 Å
• c: 16.236 ± 0.002 Å
• α: 90°
• β: 105.133 ± 0.003°
• γ: 90°
• Cell volume: 1692.4 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes