Information card for entry 4031721

Structure parameters

• Formula: C24 H27 O2 P S
• Calculated formula: C24 H27 O2 P S
• SMILES: c1(ccccc1)SCC(O)P(=O)(CCc1ccccc1)CCc1ccccc1
• Title of publication: Aerobic addition of secondary phosphine oxides to vinyl sulfides: a shortcut to 1-hydroxy-2-(organosulfanyl)ethyl(diorganyl)phosphine oxides.
• Authors of publication: Malysheva, Svetlana F.; Artem'ev, Alexander V.; Gusarova, Nina K.; Belogorlova, Nataliya A.; Albanov, Alexander I.; Liu, C. W.; Trofimov, Boris A.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 1985 - 1990
• a: 14.4632 ± 0.0006 Å
• b: 10.7632 ± 0.0005 Å
• c: 14.5754 ± 0.0006 Å
• α: 90°
• β: 105.357 ± 0.0013°
• γ: 90°
• Cell volume: 2187.94 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No