Information card for entry 4129459

Structure parameters

• Formula: C19 H15 Cl N2 O3
• Calculated formula: C19 H15 Cl N2 O3
• SMILES: c1(ccc(cc1)C1=NN([C@H]2[C@@H](C1)OC(=O)C2)C(=O)c1ccccc1)Cl
• Title of publication: Catalytic Asymmetric Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfurans with Azoalkenes: Direct Approach to Fused Butyrolactones.
• Authors of publication: Li, Jun; Huang, Rong; Xing, Yi-Kang; Qiu, Guofu; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10124 - 10127
• a: 6.2235 ± 0.0006 Å
• b: 16.6092 ± 0.0017 Å
• c: 16.7213 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No