Information card for entry 1503536

Structure parameters

• Formula: C26 H22 F N3 O4 S2
• Calculated formula: C26 H22 F N3 O4 S2
• SMILES: S=C1O[C@@]2([C@]3(N1)c1ccccc1N(Cc1ccccc1)C3=O)c1cc(F)ccc1NC2=O.S(=O)(C)C.S=C1O[C@]2([C@@]3(N1)c1ccccc1N(Cc1ccccc1)C3=O)c1cc(F)ccc1NC2=O.S(=O)(C)C
• Title of publication: Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.
• Authors of publication: Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 490 - 493
• a: 11.03 ± 0.005 Å
• b: 8.972 ± 0.005 Å
• c: 12.853 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.448 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1271.5 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0865
• 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