Information card for entry 4026209

Structure parameters

• Formula: C36 H66 Cl2 N4 O3 S2
• Calculated formula: C36 H66 Cl2 N4 O3 S2
• Title of publication: Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines
• Authors of publication: Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2635 - 2647
• a: 17.6766 ± 0.0005 Å
• b: 17.6766 ± 0.0005 Å
• c: 12.3407 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3339.4 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes