Information card for entry 7152676

Structure parameters

• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: N1=C(OC(C1)C(=C)c1ccc(cc1)C(=O)C)c1ccccc1
• Title of publication: Efficient synthesis of N-(buta-2,3-dienyl) amides from terminal N-propargyl amides and their synthetic potential towards oxazoline derivatives.
• Authors of publication: Chen, Bo; Wang, Nan; Fan, Wu; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 8465 - 8470
• a: 8.3211 ± 0.0005 Å
• b: 9.7981 ± 0.0006 Å
• c: 10.1922 ± 0.0006 Å
• α: 73.183 ± 0.002°
• β: 70.006 ± 0.002°
• γ: 85.591 ± 0.002°
• Cell volume: 747.27 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No