Information card for entry 1511915

Structure parameters

• Formula: C14 H20 N2 O
• Calculated formula: C14 H20 N2 O
• SMILES: N12N([C@@H]3[C@H](C1=O)[C@H]1CC[C@@H]3C1)[C@H]1[C@@H](C2)CCC1.N12N([C@H]3[C@@H](C1=O)[C@@H]1CC[C@H]3C1)[C@@H]1[C@H](C2)CCC1
• Title of publication: Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.
• Authors of publication: Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1890 - 1893
• a: 6.484 ± 0.0013 Å
• b: 9.9421 ± 0.0019 Å
• c: 9.963 ± 0.002 Å
• α: 85.839 ± 0.013°
• β: 72.127 ± 0.012°
• γ: 80.358 ± 0.012°
• Cell volume: 602.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No