Information card for entry 7105169

Structure parameters

• Formula: C25 H29 N O6 S
• Calculated formula: C25 H29 N O6 S
• SMILES: S(=O)(=O)(N1CCC[C@H]1C(=O)O[C@H](/C=C/c1ccccc1)CCC(=O)OC)c1ccc(C)cc1
• Title of publication: Diastereoselective gamma-vinyl butyrolactone synthesis via gold catalyzed cyclization of allylic acetate.
• Authors of publication: Wang, Ya-Hui; Zhu, Li-Li; Zhang, Yu-Xin; Chen, Zili
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 577 - 579
• a: 11.814 ± 0.002 Å
• b: 5.9898 ± 0.0012 Å
• c: 17.425 ± 0.004 Å
• α: 90°
• β: 106.02 ± 0.03°
• γ: 90°
• Cell volume: 1185.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No