Information card for entry 4022279

Structure parameters

• Common name: 02006
• Formula: C16 H22 N2 O S
• Calculated formula: C16 H22 N2 O S
• Title of publication: Lewis Acid-Promoted Oxidative Addition of Thioimidates to Pd(0)
• Authors of publication: Indranath Ghosh; Peter A. Jacobi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 9304 - 9309
• a: 15.576 ± 0.003 Å
• b: 8.4535 ± 0.0015 Å
• c: 13.024 ± 0.002 Å
• α: 90°
• β: 110.222 ± 0.003°
• γ: 90°
• Cell volume: 1609.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No