Information card for entry 1507000

Structure parameters

• Formula: C22 H33 N2 O2.5 S
• Calculated formula: C22 H32 N2 O2.4405 S
• Title of publication: Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.
• Authors of publication: Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3953 - 3956
• a: 8.9324 ± 0.0008 Å
• b: 18.4511 ± 0.0016 Å
• c: 14.0752 ± 0.0012 Å
• α: 90°
• β: 92.582 ± 0.002°
• γ: 90°
• Cell volume: 2317.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No