Information card for entry 1503537

Structure parameters

• Formula: C33 H30 N4 O4 S2
• Calculated formula: C33 H30 N4 O4 S2
• SMILES: S(=O)(C)C.S=C1N[C@]2([C@@]3(N1c1ccc(OC)cc1)c1ccccc1NC3=O)c1c(N(Cc3ccccc3)C2=O)cccc1.S(=O)(C)C.S=C1N[C@@]2([C@]3(N1c1ccc(OC)cc1)c1ccccc1NC3=O)c1c(N(Cc3ccccc3)C2=O)cccc1
• 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: 11.244 ± 0.0002 Å
• b: 19.7631 ± 0.0003 Å
• c: 13.6481 ± 0.0002 Å
• α: 90°
• β: 92.766 ± 0.002°
• γ: 90°
• Cell volume: 3029.3 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No