Information card for entry 7129661

Structure parameters

• Formula: C19 H17 N O3 S
• Calculated formula: C19 H17 N O3 S
• Title of publication: 1,2-Acyl migration with α-imino rhodium carbenoids leading to substituted 1-naphthols
• Authors of publication: Miura, Tomoya; Moritani, Shunsuke; Shiratori, Yota; Murakami, Masahiro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.478 ± 0.002 Å
• b: 8.078 ± 0.003 Å
• c: 15.574 ± 0.005 Å
• α: 81.981 ± 0.008°
• β: 89.271 ± 0.009°
• γ: 88.832 ± 0.008°
• Cell volume: 806.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0526
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No