Information card for entry 7127993

Structure parameters

• Chemical name: methyl (R,E)-5-phenyl-6-(pyridin-2-yl)hex-2-enoate
• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• Title of publication: Pyridylacetic acids and related systems as alkylheteroarene surrogates in asymmetric decarboxylative Michael addition.
• Authors of publication: Frankowski, Sebastian; Kowalska, Justyna; Albrecht, Anna
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 27
• Pages of publication: 3387 - 3390
• a: 5.7216 ± 0.0001 Å
• b: 15.4964 ± 0.0001 Å
• c: 17.3718 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.26 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0219
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No