Information card for entry 7107732

Structure parameters

• Formula: C26 H24 N4 O6 S2
• Calculated formula: C26 H24 N4 O6 S2
• SMILES: S(=O)(=O)(N1[C@@H]([C@H]1/C=N/N(S(=O)(=O)c1ccc(cc1)C)CC#CC)c1ccccc1)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1[C@H]([C@@H]1/C=N/N(S(=O)(=O)c1ccc(cc1)C)CC#CC)c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: An unprecedented ring-opening reaction of N-(aziridin-2-ylmethylene)hydrazines to facile synthesis of functionalized enamines catalysed by Lewis acid
• Authors of publication: Zhen Zhang; Yin Wei; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5334
• a: 9.682 ± 0.002 Å
• b: 10.655 ± 0.002 Å
• c: 15.011 ± 0.003 Å
• α: 107.22 ± 0.004°
• β: 96.011 ± 0.004°
• γ: 110.395 ± 0.003°
• Cell volume: 1348.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No