Information card for entry 7151761

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: N(=C\1OC(C)(C)C=C1OCC)/c1cccc2c1cccc2
• Title of publication: Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.
• Authors of publication: Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2535 - 2538
• a: 14.0009 ± 0.0006 Å
• b: 8.4953 ± 0.0003 Å
• c: 26.87 ± 0.0012 Å
• α: 90°
• β: 97.115 ± 0.004°
• γ: 90°
• Cell volume: 3171.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2104
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No