Information card for entry 7151719

Structure parameters

• Formula: C25 H21 Cl N2 O3
• Calculated formula: C25 H21 Cl N2 O3
• SMILES: c1(ccc(cc1)[C@@H]1[C@@]2([C@H]([C@H](C(=O)OC)N1)c1ccccc1)C(=O)Nc1ccccc21)Cl
• Title of publication: Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.
• Authors of publication: Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1980 - 1986
• a: 10.27 ± 0.003 Å
• b: 11.202 ± 0.003 Å
• c: 18.897 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174 ± 1.1 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: 0.036
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No