Information card for entry 2229610

Structure parameters

• Chemical name: 2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate
• Formula: C22 H35 O2 P
• Calculated formula: C22 H35 O2 P
• SMILES: O([P@](=O)(c1ccccc1)C1CCCCC1)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
• Title of publication: 2-Isopropyl-5-methylcyclohexyl cyclohexyl(phenyl)phosphinate
• Authors of publication: Xu, Hao; Liu, Li-Juan; Meng, Fan-Jie; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o991
• a: 11.4892 ± 0.0013 Å
• b: 5.8872 ± 0.0006 Å
• c: 16.3531 ± 0.0017 Å
• α: 90°
• β: 94.696 ± 0.001°
• γ: 90°
• Cell volume: 1102.4 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes