Information card for entry 7105375

Structure parameters

• Formula: C25 H22 N2 O6
• Calculated formula: C25 H22 N2 O6
• SMILES: c1cc(ccc1[C@H]1[C@H](C(=O)c2ccccc2)[C@@H](C(=O)OCC)N(c2ccccc2)O1)N(=O)=O
• 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: 8.8851 ± 0.0003 Å
• b: 12.8368 ± 0.0005 Å
• c: 19.7416 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.65 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.093
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No