Information card for entry 7116914

Structure parameters

• Formula: C22 H19 N2
• Calculated formula: C22 H19 N2
• SMILES: n1c(cn(c1c1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: I2-catalyzed synthesis of substituted imidazoles from vinyl azides and benzylamines
• Authors of publication: Likui Xiang; Yanning Niu; Xiaobo Pang; Xiaodong Yang; Rulong Yan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6598
• a: 9.7108 ± 0.0003 Å
• b: 11.3687 ± 0.0003 Å
• c: 14.8851 ± 0.0005 Å
• α: 90°
• β: 97.059 ± 0.003°
• γ: 90°
• Cell volume: 1630.85 ± 0.09 ų
• Cell temperature: 291.89 ± 0.1 K
• Ambient diffraction temperature: 291.89 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No