Information card for entry 2208548

Structure parameters

• Chemical name: (-)-Menthyl (S~P~,R~S~)-(2-p-tolylsulfinylethyl)phenylphosphinate
• Formula: C25 H35 O3 P S
• Calculated formula: C25 H35 O3 P S
• SMILES: S(=O)(CC[P@@](=O)(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: ({-})-Menthyl (<i>S</i>~P~,<i>R</i>~S~)-(2-<i>p</i>-tolylsulfinylethyl)phenylphosphinate
• Authors of publication: Osiński, Piotr W.; Saadi, Jakub; Ricken, Stefan; Schürmann, Markus; Preut, Hans; Pietrusiewicz, Michal; Eilbracht, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1248 - o1249
• a: 5.6199 ± 0.0011 Å
• b: 16.824 ± 0.003 Å
• c: 26.87 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.5 ± 0.8 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes