Information card for entry 7240515

Structure parameters

• Formula: C25 H24 O5 S
• Calculated formula: C25 H24 O5 S
• Title of publication: In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones
• Authors of publication: Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 31
• Pages of publication: 18231 - 18244
• a: 12.283 ± 0.0019 Å
• b: 19.038 ± 0.004 Å
• c: 9.2274 ± 0.0014 Å
• α: 90°
• β: 107.381 ± 0.009°
• γ: 90°
• Cell volume: 2059.2 ± 0.6 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: 0.0745
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No