Information card for entry 1513861

Structure parameters

• Formula: C17 H21 O2 P
• Calculated formula: C17 H21 O2 P
• SMILES: [P@@](=O)([C@@H](O)c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Consecutive dynamic resolutions of phosphine oxides
• Authors of publication: Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1322
• a: 21.4308 ± 0.0014 Å
• b: 6.089 ± 0.0004 Å
• c: 13.0171 ± 0.0008 Å
• α: 90°
• β: 116.36 ± 0.002°
• γ: 90°
• Cell volume: 1522.01 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No