Information card for entry 4037672

Structure parameters

• Formula: C29 H28 O6 S
• Calculated formula: C29 H28 O6 S
• SMILES: S(=O)(=O)(c1ccc(C(C)C)cc1)[C@@]12[C@@H](Oc3ccccc3C1=O)c1ccc(OC)c(OC)c1C=C2C.S(=O)(=O)(c1ccc(C(C)C)cc1)[C@]12[C@H](Oc3ccccc3C1=O)c1ccc(OC)c(OC)c1C=C2C
• 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: 10.1806 ± 0.0011 Å
• b: 22.707 ± 0.002 Å
• c: 11.1057 ± 0.0013 Å
• α: 90°
• β: 107.658 ± 0.005°
• γ: 90°
• Cell volume: 2446.4 ± 0.5 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: 0.0414
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No