Information card for entry 4126465

Structure parameters

• Formula: C7 H14 N2 O
• Calculated formula: C7 H14 N2 O
• SMILES: O=C1NCCCC1(N)CC
• Title of publication: Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.
• Authors of publication: Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 5.4402 ± 0.0003 Å
• b: 7.1156 ± 0.0004 Å
• c: 10.9891 ± 0.0005 Å
• α: 98.224 ± 0.003°
• β: 101.633 ± 0.003°
• γ: 108.971 ± 0.003°
• Cell volume: 383.9 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No