Information card for entry 1518994

Structure parameters

• Formula: C14 H17 N O3 S
• Calculated formula: C14 H17 N O3 S
• SMILES: S(=O)(=O)(C)N(c1c(c(c(C)o1)C)c1ccccc1)C
• Title of publication: Palladium-catalyzed cycloisomerization and aerobic oxidative cycloisomerization of homoallenyl amides: a facile and divergent approach to 2-aminofurans.
• Authors of publication: Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1581 - 1584
• a: 25.7457 ± 0.001 Å
• b: 5.8011 ± 0.0002 Å
• c: 19.0494 ± 0.0007 Å
• α: 90°
• β: 98.23 ± 0.003°
• γ: 90°
• Cell volume: 2815.79 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No