Information card for entry 1543359

Structure parameters

• Formula: C20 H25 N O2
• Calculated formula: C20 H25 N O2
• SMILES: N(c1cccc2ccccc12)C(=O)O[C@@H]([C@@H](CC)C)C(=C)CC
• Title of publication: Stereoselective Rh-Catalyzed Hydrogenative Desymmetrization of Achiral Substituted 1,4-Dienes.
• Authors of publication: Fernández-Pérez, Héctor; Lao, Joan R.; Vidal-Ferran, Anton
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2836 - 2839
• a: 9.3889 ± 0.0011 Å
• b: 11.6277 ± 0.0014 Å
• c: 16.0269 ± 0.0018 Å
• α: 90°
• β: 96.069 ± 0.004°
• γ: 90°
• Cell volume: 1739.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No