Information card for entry 1513860

Structure parameters

• Formula: C18 H23 O2 P
• Calculated formula: C18 H23 O2 P
• SMILES: [P@@](=O)([C@H](O)c1ccc(cc1)C)(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: 8.802 ± 0.0007 Å
• b: 10.1477 ± 0.0008 Å
• c: 10.3699 ± 0.0008 Å
• α: 90°
• β: 114.98 ± 0.002°
• γ: 90°
• Cell volume: 839.6 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No