Information card for entry 4024051

Structure parameters

• Common name: amine addition
• Chemical name: 4-((benzyl(methyl)amino)(phenyl)methyl)oxazolidin-2-one
• Formula: C18 H19 N2 O2
• Calculated formula: C18 H19.855 N2 O2
• Title of publication: Copper-Catalyzed Tethered Aziridination of Unsaturated N-Tosyloxy Carbamates
• Authors of publication: Renmao Liu; Steven R. Herron; Steven A. Fleming
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5587 - 5591
• a: 14.0033 ± 0.0009 Å
• b: 19.9207 ± 0.0012 Å
• c: 11.629 ± 0.0007 Å
• α: 90°
• β: 93.677 ± 0.003°
• γ: 90°
• Cell volume: 3237.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No