Information card for entry 7107731

Structure parameters

• Formula: C26 H24 N4 O6 S2
• Calculated formula: C26 H24 N4 O6 S2
• SMILES: N(/N=C/C(=C\NS(=O)(=O)c1ccc(N(=O)=O)cc1)/c1ccccc1)(S(=O)(=O)c1ccc(cc1)C)CC#CC
• 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: 9.0221 ± 0.001 Å
• b: 12.4227 ± 0.0014 Å
• c: 12.8373 ± 0.0014 Å
• α: 69.652 ± 0.002°
• β: 74.456 ± 0.002°
• γ: 87.696 ± 0.002°
• Cell volume: 1297.4 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No