Information card for entry 7112027

Structure parameters

• Formula: C28 H22 N2
• Calculated formula: C28 H22 N2
• SMILES: n1(c(c(nc1c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Ni(II)-salt catalyzed activation of primary amine-sp3Calpha-H and cyclization with 1,2-diketone to tetrasubstituted imidazoles
• Authors of publication: Srikanta Samanta; Dipanwita Roy; Saikat Khamarui; Dilip K. Maiti
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2477
• a: 10.24 ± 0.02 Å
• b: 10.26 ± 0.02 Å
• c: 21.35 ± 0.04 Å
• α: 94.42 ± 0.03°
• β: 103.09 ± 0.03°
• γ: 91.42 ± 0.02°
• Cell volume: 2176 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.116
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2588
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No