Information card for entry 1540620

Structure parameters

• Formula: C30 H26 O3 S
• Calculated formula: C30 H26 O3 S
• SMILES: S(=O)(=O)(C(/C=C(c1ccc(c2ccccc2)cc1)\C)C(=O)c1ccccc1)c1ccc(C)cc1
• Title of publication: Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.
• Authors of publication: Chang, Meng-Yang; Cheng, Yu-Chieh
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5702 - 5705
• a: 16.1272 ± 0.0015 Å
• b: 8.2497 ± 0.0008 Å
• c: 17.782 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2365.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No