Information card for entry 7117725

Structure parameters

• Formula: C25 H25 N O5 S
• Calculated formula: C25 H25 N O5 S
• SMILES: S(=O)(=O)(N1CC(=O)C=CC=CC(OC(=O)C)=C(CC1)c1ccccc1)c1ccc(cc1)C
• Title of publication: A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles
• Authors of publication: Yin-Wei Sun; Xiang-Ying Tang; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13937
• a: 8.4273 ± 0.0017 Å
• b: 18.696 ± 0.005 Å
• c: 14.628 ± 0.003 Å
• α: 90°
• β: 96.208 ± 0.005°
• γ: 90°
• Cell volume: 2291.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No