Information card for entry 7226949

Structure parameters

• Formula: C11 H6 O2 S
• Calculated formula: C11 H6 O2 S
• SMILES: s1ccc2c3c(OC(=O)c12)cccc3
• Title of publication: One-pot transition-metal-free cascade synthesis of thieno[2,3-c]coumarins from chromones
• Authors of publication: Yang, Yuhong; Qi, Xueyu; Liu, Ruiling; He, Qian; Yang, Chunhao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.1145 ± 0.0011 Å
• b: 8.2023 ± 0.0008 Å
• c: 18.5724 ± 0.0016 Å
• α: 90°
• β: 106.188 ± 0.005°
• γ: 90°
• Cell volume: 1772.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No