Information card for entry 7156556

Structure parameters

• Formula: C26 H20 N2 O2 S
• Calculated formula: C26 H20 N2 O2 S
• Title of publication: Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.
• Authors of publication: Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 9003 - 9010
• a: 7.979 ± 0.003 Å
• b: 19.9763 ± 0.0013 Å
• c: 13.149 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2095.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No