Information card for entry 4038385

Structure parameters

• Formula: C26 H26 O7 S
• Calculated formula: C26 H26 O7 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)/C=C1/c2c(OC)c(OC)c(OC)cc2c2c1cc(OC)c(c2)OC
• Title of publication: CuBr₂-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.
• Authors of publication: Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.1007 ± 0.0008 Å
• b: 25.249 ± 0.003 Å
• c: 11.9527 ± 0.0011 Å
• α: 90°
• β: 104.451 ± 0.005°
• γ: 90°
• Cell volume: 2367.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No