Information card for entry 1559216

Structure parameters

• Formula: C31 H30 N2 O5
• Calculated formula: C31 H30 N2 O5
• SMILES: O=C1N(c2ccc(C)cc2[C@@]21N=C(c1ccccc1)C[C@H]2C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
• Title of publication: Catalytic asymmetric synthesis of 3,2'-pyrrolinyl spirooxindoles via conjugate addition/Schmidt-type rearrangement of vinyl azides and (E)-alkenyloxindoles
• Authors of publication: Zhong, Ziwei; Xiao, Zhijie; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 10.5509 ± 0.0013 Å
• b: 15.2802 ± 0.0019 Å
• c: 16.524 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No