Information card for entry 7115737

Structure parameters

• Chemical name: zs-spiro
• Formula: C23 H25 N O5 S
• Calculated formula: C23 H25 N O5 S
• SMILES: S(=O)(=O)(N1CCC[C@]21OC(=C[C@H](C2)c1ccccc1)C(=O)OC)c1ccc(C)cc1.S(=O)(=O)(N1CCC[C@@]21OC(=C[C@@H](C2)c1ccccc1)C(=O)OC)c1ccc(C)cc1
• Title of publication: Synthesis of spiroaminals by bimetallic Au/Sc relay catalysis: TMS as a traceless controlling group
• Authors of publication: Shuo Zhang; Zhengliang Xu; Jiong Jia; Chen-Ho Tung; Zhenghu Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12084
• a: 11.074 ± 0.003 Å
• b: 12.584 ± 0.003 Å
• c: 15.635 ± 0.003 Å
• α: 90°
• β: 98.076 ± 0.004°
• γ: 90°
• Cell volume: 2157.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1692
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No