Information card for entry 4110028

Structure parameters

• Formula: C22 H25 N O2 S
• Calculated formula: C22 H25 N O2 S
• SMILES: S(=O)(=O)(N1C[C@@H]2C(=C(C)C)[C@H]([C@@H]2C1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1C[C@H]2C(=C(C)C)[C@@H]([C@H]2C1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Gold(I)-Catalyzed [2 + 2]-Cycloaddition of Allenenes
• Authors of publication: Michael R. Luzung; Pablo Mauleón; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12402 - 12403
• a: 14.277 ± 0.003 Å
• b: 7.424 ± 0.001 Å
• c: 18 ± 0.003 Å
• α: 90°
• β: 93.883 ± 0.003°
• γ: 90°
• Cell volume: 1903.5 ± 0.6 ų
• Cell temperature: 119.2 K
• Number of distinct elements: 5
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.813
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No