Information card for entry 4110900

Structure parameters

• Formula: C24 H26 N4 Se2
• Calculated formula: C24 H26 N4 Se2
• SMILES: [Se]([Se]c1nccn1c1c(cc(cc1C)C)C)c1nccn1c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structural Characterization of 1-Mesityl-1,3-dihydro-imidazole-2-selone and Bis(1-mesitylimidazol-2-yl)diselenide: Experimental Evidence That the Selone Is More Stable Than the Selenol Tautomer
• Authors of publication: Victoria K. Landry; Mao Minoura; Keliang Pang; Daniela Buccella; Bryte V. Kelly; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12490 - 12497
• a: 9.6415 ± 0.0007 Å
• b: 15.6136 ± 0.0012 Å
• c: 16.0959 ± 0.0012 Å
• α: 90°
• β: 102.776 ± 0.001°
• γ: 90°
• Cell volume: 2363.1 ± 0.3 ų
• Cell temperature: 516 ± 2 K
• Ambient diffraction temperature: 516 ± 2 K
• Number of distinct elements: 4
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No