Information card for entry 7156075

Structure parameters

• Formula: C37 H35 Cl N2 O8
• Calculated formula: C37 H35 Cl N2 O8
• SMILES: Clc1ccc([C@H]2[C@]3([C@]4(C(=O)N(C(=O)OC(C)(C)C)c5ccccc45)C=C2C(=O)OC)C(=O)N(C(=O)OC(C)(C)C)c2c3cccc2)cc1.Clc1ccc([C@@H]2[C@@]3([C@@]4(C(=O)N(C(=O)OC(C)(C)C)c5ccccc45)C=C2C(=O)OC)C(=O)N(C(=O)OC(C)(C)C)c2c3cccc2)cc1
• Title of publication: Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.
• Authors of publication: Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 1297 - 1304
• a: 15.05 ± 0.0015 Å
• b: 15.9438 ± 0.0016 Å
• c: 15.0274 ± 0.0015 Å
• α: 90°
• β: 113.382 ± 0.002°
• γ: 90°
• Cell volume: 3309.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No