Information card for entry 2007297

Structure parameters

• Common name: (2R,4S,6S)-(+)-2-N-benzylmethyl-amino-2-thio-4,6- dimethyl-1,3,2-dioxaphosphorinane
• Formula: C13 H20 N O2 P S
• Calculated formula: C13 H20 N O2 P S
• SMILES: P1(=S)(N[C@H](C)c2ccccc2)O[C@H](C[C@@H](O1)C)C
• Title of publication: (4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane
• Authors of publication: Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 832 - 834
• a: 9.921 ± 0.001 Å
• b: 9.921 ± 0.001 Å
• c: 26.88 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2291.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No