Information card for entry 4102161

Structure parameters

• Formula: C18 H26 N2 O2
• Calculated formula: C18 H26 N2 O2
• SMILES: OC[C@]1(CN(N2[C@H]1C(CCC2)(C)C)C(=O)c1ccccc1)C
• 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: 8.35231 ± 0.00018 Å
• b: 10.24 ± 0.0002 Å
• c: 9.641 ± 0.0002 Å
• α: 90°
• β: 91.1862 ± 0.0014°
• γ: 90°
• Cell volume: 824.4 ± 0.03 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No