Information card for entry 1503009

Structure parameters

• Formula: C31 H29 N O5 S2
• Calculated formula: C31 H29 N O5 S2
• SMILES: s1c([C@H]2[C@]3(C(=O)N(c4c3cccc4)C)[C@H]3[C@H](C=C2C=O)[C@H]([C@@H](C3=O)C(=O)OC(C)(C)C)c2sccc2)ccc1
• Title of publication: Asymmetric quadruple aminocatalytic domino reactions to fused carbocycles incorporating a spirooxindole motif.
• Authors of publication: Jiang, Kun; Jia, Zhi-Jun; Yin, Xiang; Wu, Li; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2766 - 2769
• a: 6.3188 ± 0.001 Å
• b: 19.093 ± 0.003 Å
• c: 25.261 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3047.6 ± 0.8 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 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: 0.1704
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2466
• Weighted residual factors for all reflections included in the refinement: 0.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No