Information card for entry 4109380

Structure parameters

• Formula: C23 H25 N O4 S
• Calculated formula: C23 H25 N O4 S
• SMILES: S(=O)(=O)(N1C[C@@]2([C@H]([C@@H]2C1)c1ccccc1)/C=C/C(=O)OCC)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]2([C@@H]([C@H]2C1)c1ccccc1)/C=C/C(=O)OCC)c1ccc(cc1)C
• Title of publication: Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes
• Authors of publication: Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6037 - 6049
• a: 18.624 ± 0.004 Å
• b: 8.143 ± 0.004 Å
• c: 29.188 ± 0.007 Å
• α: 90°
• β: 104.63 ± 0.02°
• γ: 90°
• Cell volume: 4283 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2309
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No