Information card for entry 1558510

Structure parameters

• Formula: C22 H21 O2 P
• Calculated formula: C22 H21 O2 P
• SMILES: [P@@](=O)(OCC)(c1ccccc1)C(=C)c1ccc(c2ccccc2)cc1
• Title of publication: Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates
• Authors of publication: Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 28
• Pages of publication: 7451 - 7455
• a: 6.0977 ± 0.0004 Å
• b: 8.3134 ± 0.0006 Å
• c: 18.1062 ± 0.0012 Å
• α: 90°
• β: 97.792 ± 0.002°
• γ: 90°
• Cell volume: 909.38 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0556
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No