Information card for entry 1569185

Structure parameters

• Formula: C18 H16 O2 S
• Calculated formula: C18 H16 O2 S
• Title of publication: Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.
• Authors of publication: Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 6393 - 6398
• a: 7.349 ± 0.002 Å
• b: 11.275 ± 0.003 Å
• c: 17.533 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.8 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0285
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No