Information card for entry 4518052

Structure parameters

• Formula: C11 H21 N O3
• Calculated formula: C11 H21 N O3
• Title of publication: trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives
• Authors of publication: Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 11365 - 11370
• a: 9.2362 ± 0.0003 Å
• b: 10.9879 ± 0.0003 Å
• c: 23.7378 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.06 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No