Information card for entry 1571816

Structure parameters

• Formula: C16 H18 O4
• Calculated formula: C16 H18 O4
• Title of publication: Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.
• Authors of publication: Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 11038 - 11042
• a: 7.0614 ± 0.0003 Å
• b: 10.6993 ± 0.0004 Å
• c: 18.6749 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1410.93 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No