Information card for entry 7131316

Structure parameters

• Formula: C23 H20 O4 S2
• Calculated formula: C23 H20 O4 S2
• SMILES: S1(=O)(=O)[C@H]2[C@]3(S(=O)CC1)Oc1c([C@@H]3[C@@H](c3ccccc3)C2)c2c(cc1)cccc2.S1(=O)(=O)[C@@H]2[C@@]3(S(=O)CC1)Oc1c([C@H]3[C@H](c3ccccc3)C2)c2c(cc1)cccc2
• Title of publication: Construction of cyclopenta[b]dihydronaphthofurans via TsOH-catalyzed consecutive biscyclization of dithioallylic alcohols and 1-styrylnaphthols
• Authors of publication: Li, He-Ping; Wu, Xiao-Ling; Zhan, Gu; Fu, Xue-Ju; Chen, Jian-Hua; He, Xiang-Hong; Han, Bo
• Journal of publication: Chemical Communications
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 16
• Pages of publication: 2275 - 2278
• a: 10.1975 ± 0.0005 Å
• b: 20.3322 ± 0.0011 Å
• c: 19.3584 ± 0.0011 Å
• α: 90°
• β: 101.235 ± 0.003°
• γ: 90°
• Cell volume: 3936.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No