Information card for entry 7105835

Structure parameters

• Formula: C26 H24 N2 O5
• Calculated formula: C26 H24 N2 O5
• SMILES: O=C([C@H]1C[C@]([C@@H]([C@]([C@@H]1c1ccccc1)(C(=O)OC)C#N)c1ccccc1)(C(=O)OC)C#N)C.O=C([C@@H]1C[C@@]([C@H]([C@@]([C@H]1c1ccccc1)(C(=O)OC)C#N)c1ccccc1)(C(=O)OC)C#N)C
• Title of publication: Chemoselective phosphine-catalyzed cascade annulations between two different activated alkenes: highly diastereoselective syntheses of polysubstituted cyclohexanes and cyclopentenes
• Authors of publication: Lingchao Cai; Bo Zhang; Guiping Wu; Haibin Song; Zhengjie He
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1045
• a: 11.9164 ± 0.0013 Å
• b: 11.4393 ± 0.0012 Å
• c: 17.345 ± 0.002 Å
• α: 90°
• β: 109.959 ± 0.007°
• γ: 90°
• Cell volume: 2222.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No