Information card for entry 7219285

Structure parameters

• Formula: C19 H25 N O4
• Calculated formula: C19 H25 N O4
• Title of publication: An insight into the synthesis of novel aryl-substituted alicyclic β-amino acid derivatives through substrate-directed palladium-catalysed regio- and stereoselective cross-coupling
• Authors of publication: Nonn, Melinda; Kiss, Lorand; Hänninen, Mikko; Fulop, Ferenc
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.778 ± 0.003 Å
• b: 6.9181 ± 0.0014 Å
• c: 17.853 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825.2 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No