Information card for entry 4037670

Structure parameters

• Formula: C24 H28 O7 S
• Calculated formula: C24 H28 O7 S
• SMILES: S(=O)(=O)([C@]12[C@](O)(Cc3c(OC)c(OC)ccc3[C@@H]2Oc2c(C1=O)cccc2)C)CCCC.S(=O)(=O)([C@@]12[C@@](O)(Cc3c(OC)c(OC)ccc3[C@H]2Oc2c(C1=O)cccc2)C)CCCC
• 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: 17.864 ± 0.004 Å
• b: 15.417 ± 0.004 Å
• c: 7.9315 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2184.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No