Information card for entry 4037674

Structure parameters

• Formula: C27 H23 Cl O6 S
• Calculated formula: C27 H23 Cl O6 S
• SMILES: Clc1ccc2O[C@H]3[C@](S(=O)(=O)c4ccc(C)cc4)(C(=Cc4c(OC)c(OC)ccc34)C)C(=O)c2c1.Clc1ccc2O[C@@H]3[C@](S(=O)(=O)c4ccc(C)cc4)(C(=O)c2c1)C(=Cc1c3ccc(OC)c1OC)C
• 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: 12.9789 ± 0.001 Å
• b: 12.9834 ± 0.001 Å
• c: 15.1869 ± 0.0012 Å
• α: 84.523 ± 0.002°
• β: 66.41 ± 0.002°
• γ: 78.824 ± 0.002°
• Cell volume: 2300.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No