Information card for entry 7105269

Structure parameters

• Formula: C29 H36 Br N O7
• Calculated formula: C29 H36 Br N O7
• SMILES: Brc1ccc(cc1)[C@@H]1[C@@H](C(=O)OC)N[C@H](C1(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccc(cc1)OC
• 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: 9.7742 ± 0.0008 Å
• b: 15.7902 ± 0.0013 Å
• c: 18.9829 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2929.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No