Information card for entry 4037669

Structure parameters

• Formula: C26 H22 O6 S
• Calculated formula: C26 H22 O6 S
• SMILES: S(=O)(=O)([C@@]12C(=Cc3c(OC)c(OC)ccc3[C@@H]1Oc1c(C2=O)cccc1)C)c1ccccc1.S(=O)(=O)([C@]12C(=Cc3c(OC)c(OC)ccc3[C@H]1Oc1c(C2=O)cccc1)C)c1ccccc1
• 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: 8.9974 ± 0.0004 Å
• b: 11.1134 ± 0.0005 Å
• c: 12.3498 ± 0.0006 Å
• α: 109.144 ± 0.003°
• β: 96.624 ± 0.003°
• γ: 105.578 ± 0.003°
• Cell volume: 1095.29 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No