Information card for entry 1505381

Structure parameters

• Formula: C28 H35 N3 O2 S
• Calculated formula: C28 H35 N3 O2 S
• SMILES: S(=O)(=O)(/N=C1/N(/C(=N/C2CCCCC2)C1c1ccccc1)C1CCCCC1)c1ccc(cc1)C
• Title of publication: Copper-catalyzed highly efficient multicomponent reactions: synthesis of 2-(sulfonylimino)-4-(alkylimino)azetidine derivatives.
• Authors of publication: Xu, Xiaoliang; Cheng, Dongping; Li, Jinghua; Guo, Hongyun; Yan, Jie
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1585 - 1587
• a: 17.22 ± 0.003 Å
• b: 11.154 ± 0.002 Å
• c: 27.154 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5215.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No