Information card for entry 1555734

Structure parameters

• Formula: C30 H31 N O7 S
• Calculated formula: C30 H31 N O7 S
• SMILES: S(=O)(=O)(N1[C@@H](c2ccccc2)C[C@]2(OCc3ccccc23)C1(C(=O)OCC)C(=O)OCC)c1ccc(C)cc1.S(=O)(=O)(N1[C@H](c2ccccc2)C[C@@]2(OCc3ccccc23)C1(C(=O)OCC)C(=O)OCC)c1ccc(C)cc1
• Title of publication: Gold/Lewis Acid Catalyzed Cycloisomerization/Diastereoselective [3 + 2] Cycloaddition Cascade: Synthesis of Diverse Nitrogen-Containing Spiro Heterocycles.
• Authors of publication: Wang, Bin; Liang, Man; Tang, Jian; Deng, Yuting; Zhao, Jinhong; Sun, Hao; Tung, Chen-Ho; Jia, Jiong; Xu, Zhenghu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4614 - 4617
• a: 9.901 ± 0.002 Å
• b: 11.342 ± 0.002 Å
• c: 13.766 ± 0.003 Å
• α: 97.9523 ± 0.0018°
• β: 97.714 ± 0.0018°
• γ: 115.282 ± 0.0016°
• Cell volume: 1351.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No