Information card for entry 1504303

Structure parameters

• Formula: C28 H24 N4 O4 S
• Calculated formula: C28 H24 N4 O4 S
• SMILES: S(=O)(=O)(N1C(=NN(C(C1)c1ccccc1)c1ccccc1)c1cc(N(=O)=O)ccc1)c1ccc(cc1)C
• Title of publication: Copper-catalyzed tandem nucleophilic ring-opening/intramolecular oxidative amidation of N-tosylaziridines and hydrazones under aerobic conditions.
• Authors of publication: Hong, Deng; Lin, Xufeng; Zhu, Yuanxun; Lei, Ming; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 5678 - 5681
• a: 9.0058 ± 0.0008 Å
• b: 13.1391 ± 0.0012 Å
• c: 21.485 ± 0.002 Å
• α: 90°
• β: 93.277 ± 0.002°
• γ: 90°
• Cell volume: 2538.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No