Information card for entry 7132605

Structure parameters

• Formula: C22 H19 F N2
• Calculated formula: C22 H19 F N2
• SMILES: Fc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1
• Title of publication: Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.
• Authors of publication: Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 12
• Pages of publication: 1638 - 1641
• a: 10.454 ± 0.0009 Å
• b: 20.0412 ± 0.0018 Å
• c: 9.0834 ± 0.0008 Å
• α: 90°
• β: 106.374 ± 0.004°
• γ: 90°
• Cell volume: 1825.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1708
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No