Information card for entry 7105374

Structure parameters

• Formula: C16 H19 N O7
• Calculated formula: C16 H19 N O7
• SMILES: c1(ccccc1)N1[C@@H]([C@H]([C@@H](C(=O)OC)O1)C(=O)OC)C(=O)OCC.c1(ccccc1)N1[C@H]([C@@H]([C@H](C(=O)OC)O1)C(=O)OC)C(=O)OCC
• Title of publication: Diastereoselective HOTf-catalyzed three-component one-pot 1,3-dipolar cycloaddition of alpha-diazo ester, nitrosobenzene and electron-deficient alkene.
• Authors of publication: Xu, Zhen-Jiang; Zhu, Di; Zeng, Xiaofei; Wang, Fei; Tan, Bin; Hou, Yuxuan; Lv, Yunbo; Zhong, Guofu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 2504 - 2506
• a: 9.0084 ± 0.0002 Å
• b: 19.0142 ± 0.0005 Å
• c: 19.072 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3266.8 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No