Information card for entry 1501899

Structure parameters

• Formula: C18 H19 F N2 O
• Calculated formula: C18 H19 F N2 O
• SMILES: Fc1c(N(C(=O)N(C(=C\C)/c2ccccc2)C)C)cccc1
• Title of publication: Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).
• Authors of publication: Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 296 - 299
• a: 9.0491 ± 0.0018 Å
• b: 18.07 ± 0.004 Å
• c: 9.4597 ± 0.0019 Å
• α: 90°
• β: 94.301 ± 0.004°
• γ: 90°
• Cell volume: 1542.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No