Information card for entry 7226727

Structure parameters

• Chemical name: (S)-[(4-Isopropylcyclohex-1-en-1-yl)methyl]diphenylphosphine oxide
• Formula: C22 H27 O P
• Calculated formula: C22 H27 O P
• SMILES: P(=O)(CC1=CC[C@H](CC1)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes
• Authors of publication: Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4896
• a: 5.719 ± 0.0003 Å
• b: 17.9432 ± 0.001 Å
• c: 9.0209 ± 0.0005 Å
• α: 90°
• β: 99.0333 ± 0.0015°
• γ: 90°
• Cell volume: 914.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No