Information card for entry 4037676

Structure parameters

• Formula: C26 H22 O6 S
• Calculated formula: C26 H22 O6 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)C(=C\c1c2c(oc(c2)C)c(OC)cc1)\C(=O)c1c(O)cccc1
• Title of publication: Construction of Sulfonyl Dihydrobenzo[<i>c</i>]xanthen-7-ones Core via NH₄OAc/PdCl₂/CuCl₂-Mediated Double Cyclocondensation of α-Sulfonyl <i>o</i>-Hydroxyacetophenones with 2-Allylbenzaldehydes.
• Authors of publication: Hsueh, Nai-Chen; Tsai, Min-Chen; Chang, Meng-Yang; Chen, Hsing-Yin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 10.8962 ± 0.0007 Å
• b: 16.0021 ± 0.0008 Å
• c: 14.7675 ± 0.0009 Å
• α: 90°
• β: 103.819 ± 0.003°
• γ: 90°
• Cell volume: 2500.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No