Information card for entry 4028774

Structure parameters

• Formula: C19 H26 N2 O4 S2
• Calculated formula: C19 H26 N2 O4 S2
• Title of publication: Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines
• Authors of publication: Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 11756 - 11764
• a: 10.666 ± 0.01 Å
• b: 10.666 ± 0.01 Å
• c: 18.087 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2058 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No