Information card for entry 7132053

Structure parameters

• Chemical name: (Z)-3-(2-(hydroxy(phenyl)methyl)hex-1-en-1-yl)oxazolidin-2-one
• Formula: C16 H21 N O3
• Calculated formula: C16 H21 N O3
• Title of publication: Benchtop Nickel-Catalyzed Reductive Coupling of Aldehydes with Alkynes and Ynamides
• Authors of publication: Khamrai, Aankhi; Ganesh, Venkataraman
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.4074 ± 0.0002 Å
• b: 8.1039 ± 0.0002 Å
• c: 31.1224 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2877.09 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.9 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: 0.0408
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No