Information card for entry 7157853

Structure parameters

• Formula: C23 H18 O3 S
• Calculated formula: C23 H18 O3 S
• Title of publication: Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.
• Authors of publication: Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1498 - 1502
• a: 8.431 ± 0.0005 Å
• b: 10.6418 ± 0.0011 Å
• c: 11.6712 ± 0.0014 Å
• α: 115.047 ± 0.011°
• β: 104.819 ± 0.008°
• γ: 94.55 ± 0.007°
• Cell volume: 895.84 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No