Information card for entry 1558389

Structure parameters

• Chemical name: (S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• Title of publication: Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides
• Authors of publication: Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 7260 - 7265
• a: 10.206 ± 0.0004 Å
• b: 11.8825 ± 0.0005 Å
• c: 12.7337 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1544.25 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0585
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No