Information card for entry 7107458

Structure parameters

• Formula: C22 H26 N4
• Calculated formula: C22 H26 N4
• SMILES: n1(c2ccccc2)c(N2CCCC2)nc2ccccc2/c1=N/C(C)(C)C
• Title of publication: A palladium-catalyzed three-component reaction for the preparation of quinazolin-4(3H)-imines
• Authors of publication: Guanyinsheng Qiu; Gang Liu; Shouzhi Pu; Jie Wu
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2903
• a: 7.764 ± 0.003 Å
• b: 9.11 ± 0.003 Å
• c: 14.936 ± 0.005 Å
• α: 80.214 ± 0.005°
• β: 89.198 ± 0.005°
• γ: 67.968 ± 0.004°
• Cell volume: 963.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No