Information card for entry 4109523

Structure parameters

• Formula: C42 H60 N4 O11 Si
• Calculated formula: C42 H60 N4 O11 Si
• SMILES: [Si](CC1=C(O[C@H]2OC[C@@H]3C([C@]2(CC3)C)(C)C)C(=O)[C@]([NH+]2CCOCC2)([C@H]1c1ccccc1)C)(C(C)C)(C(C)C)C(C)C.N(=O)(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1[O-]
• Title of publication: Asymmetric Amine-Intercepted Nazarov Cyclization
• Authors of publication: Francis Dhoro; Tor E. Kristensen; Vegar Stockmann; Glenn P. A. Yap; Marcus A. Tius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7256 - 7257
• a: 12.583 ± 0.004 Å
• b: 16.903 ± 0.006 Å
• c: 19.953 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4244 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No