Information card for entry 2234092

Structure parameters

• Chemical name: 1,2-Bis(4-methylbenzyl)diselane
• Formula: C16 H18 Se2
• Calculated formula: C16 H18 Se2
• SMILES: [Se]([Se]Cc1ccc(cc1)C)Cc1ccc(cc1)C
• Title of publication: 1,2-Bis(4-methylbenzyl)diselane
• Authors of publication: Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o985
• a: 5.8748 ± 0.0007 Å
• b: 11.5315 ± 0.0011 Å
• c: 22.794 ± 0.003 Å
• α: 90°
• β: 91.701 ± 0.009°
• γ: 90°
• Cell volume: 1543.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes