Information card for entry 7107986

Structure parameters

• Formula: C18 H17 N O3 S
• Calculated formula: C18 H17 N O3 S
• SMILES: S(=O)(=O)(N(c1oc(c2ccccc2)c(c1)C)c1ccccc1)C
• Title of publication: Gold-catalyzed synthesis of substituted 2-aminofurans via formal [4+1]-cycloadditions on 3-en-1-ynamides
• Authors of publication: Ramesh B. Dateer; Kamalkishore Pati; Rai-Shung Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7200
• a: 9.0128 ± 0.0018 Å
• b: 9.1833 ± 0.0018 Å
• c: 10.1798 ± 0.0019 Å
• α: 90°
• β: 110.846 ± 0.004°
• γ: 90°
• Cell volume: 787.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No