Information card for entry 1574875

Structure parameters

• Formula: C14 H14 O
• Calculated formula: C14 H14 O
• Title of publication: <i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.
• Authors of publication: Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 13826 - 13837
• a: 5.5996 ± 0.0014 Å
• b: 8.103 ± 0.002 Å
• c: 23.254 ± 0.006 Å
• α: 91.263 ± 0.008°
• β: 91.912 ± 0.007°
• γ: 91.077 ± 0.008°
• Cell volume: 1054.1 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1669
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2414
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No