Information card for entry 7105270

Structure parameters

• Formula: C32 H37 N O6
• Calculated formula: C32 H37 N O6
• SMILES: c1(cccc2ccccc12)[C@@H]1C([C@H]([C@H](C(=O)OC)N1)c1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.c1(cccc2ccccc12)[C@H]1C([C@@H]([C@@H](C(=O)OC)N1)c1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: exo-Selective asymmetric 1,3-dipolar cycloaddition of azomethine ylides with alkylidene malonates catalyzed by AgOAc/TF-BiphamPhos.
• Authors of publication: Xue, Zhi-Yong; Liu, Tang-Lin; Lu, Zhou; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1727 - 1729
• a: 10.0784 ± 0.0012 Å
• b: 12.2383 ± 0.0014 Å
• c: 12.8767 ± 0.0015 Å
• α: 91.535 ± 0.002°
• β: 95.552 ± 0.002°
• γ: 111.887 ± 0.002°
• Cell volume: 1463.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No