Information card for entry 4035492

Structure parameters

• Formula: C27 H31 F6 N2 O3 Ru S Sb
• Calculated formula: C27 H31 F6 N2 O3 Ru S Sb
• SMILES: [Ru]123456([N](S(=O)(=O)c7ccc(cc7)C)=Cc7c1cc(OC)cc7)([N]#CC)[cH]1[cH]3[c]4([cH]5[cH]6[c]21C(C)C)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.
• Authors of publication: Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 3746 - 3755
• a: 10.9916 ± 0.0006 Å
• b: 21.3314 ± 0.0011 Å
• c: 13.3154 ± 0.0006 Å
• α: 90°
• β: 99.544 ± 0.002°
• γ: 90°
• Cell volume: 3078.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No