Information card for entry 7118063

Structure parameters

• Formula: C18 H20 N2 O
• Calculated formula: C18 H20 N2 O
• SMILES: O1CCN(C(=N\c2ccccc2)\Cc2ccccc2)CC1
• Title of publication: Palladium-catalyzed three-component reaction of N-tosyl hydrazones, isonitriles and amines leading to amidines
• Authors of publication: Qiang Dai; Yan Jiang; Jin-Tao Yu; Jiang Cheng
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16645
• a: 8.471 ± 0.003 Å
• b: 18.936 ± 0.008 Å
• c: 9.695 ± 0.004 Å
• α: 90°
• β: 99.546 ± 0.009°
• γ: 90°
• Cell volume: 1533.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No