Information card for entry 7160817

Structure parameters

• Formula: C25 H32 O2 S
• Calculated formula: C25 H32 O2 S
• Title of publication: Palladium-catalyzed asymmetric propargylic sulfonylation of propargyl esters with sulfonyl hydrazides.
• Authors of publication: Ou, Zhi-Xiong; Zhang, Bu-Hong; Song, Jia-Xin; Li, Li-Bo; Wang, Xing-Wang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 10479 - 10487
• a: 8.6368 ± 0.0002 Å
• b: 11.618 ± 0.0003 Å
• c: 22.8872 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.56 ± 0.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No