Information card for entry 4102159

Structure parameters

• Formula: C18 H26 N2 O2
• Calculated formula: C18 H26 N2 O2
• SMILES: O=C(N1N2CCCC([C@@H]2[C@H]([C@@H]1C)CO)(C)C)c1ccccc1
• Title of publication: Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes
• Authors of publication: Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4076 - 4077
• a: 9.46167 ± 0.00017 Å
• b: 11.9002 ± 0.0002 Å
• c: 15.0505 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1694.62 ± 0.05 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No