Information card for entry 2209923

Structure parameters

• Chemical name: Bis(2-methylbenzyl) diselenide
• Formula: C16 H18 Se2
• Calculated formula: C16 H18 Se2
• SMILES: c1(ccccc1C[Se][Se]Cc1c(cccc1)C)C
• Title of publication: Bis(2-methylbenzyl) diselenide
• Authors of publication: Wen-Ju Liu; Ming-Hu Wu; Wei-Dong Zou; Yang-Yan Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3177 - o3178
• a: 8.2965 ± 0.001 Å
• b: 9.0307 ± 0.0011 Å
• c: 10.9729 ± 0.0016 Å
• α: 83.598 ± 0.003°
• β: 67.935 ± 0.002°
• γ: 83.878 ± 0.002°
• Cell volume: 755.29 ± 0.17 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes