Information card for entry 2230179

Structure parameters

• Chemical name: (<i>R</i>~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate
• Formula: C19 H31 O2 P
• Calculated formula: C19 H31 O2 P
• SMILES: [P@@](=O)(O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(c1ccccc1)C(C)C
• Title of publication: (<i>R</i>~p~)-2-Isopropyl-5-methylcyclohexyl isopropyl(phenyl)phosphinate
• Authors of publication: Liu, Li-Juan; Xu, Hao; Meng, Fan-Jie; Wang, Da-Qi; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1186
• a: 5.8847 ± 0.0004 Å
• b: 17.196 ± 0.003 Å
• c: 9.7075 ± 0.0009 Å
• α: 90°
• β: 95.184 ± 0.001°
• γ: 90°
• Cell volume: 978.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes