Information card for entry 7160653

Structure parameters

• Formula: C18 H21 N O3 S
• Calculated formula: C18 H21 N O3 S
• Title of publication: TCCA/PhSH-mediated regioselective hydroethoxylation and hydromethoxylation of allenamides <i>via</i> a radical process.
• Authors of publication: Liu, Qingsong; Jiri, Gele; She, Xingyao; Zhao, Zhigang; Li, Xiaoxiao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 7969 - 7974
• a: 10.234 ± 0.007 Å
• b: 11.182 ± 0.007 Å
• c: 15.852 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No