Information card for entry 2004062

Structure parameters

• Formula: C21 H30 N O P S
• Calculated formula: C21 H30 N O P S
• Title of publication: [3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide
• Authors of publication: Wieczorek, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2108 - 2110
• a: 9.759 ± 0.001 Å
• b: 27.561 ± 0.001 Å
• c: 8.941 ± 0.001 Å
• α: 90°
• β: 114.87 ± 0.01°
• γ: 90°
• Cell volume: 2181.8 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 2.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No