Information card for entry 2204224

Structure parameters

• Chemical name: 2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide
• Formula: C22 H26 O2 Se2
• Calculated formula: C22 H26 O2 Se2
• SMILES: [Se]1(=O)C2([Se](=O)C1(C(CCC2(C)C)(C)C)c1ccccc1)c1ccccc1
• Title of publication: 2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide
• Authors of publication: Meng-Xin Ding; Bing Ma; Ran Zhu; Hai-Tao Sha; Ji Shao; Xin Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1458 - o1459
• a: 9.193 ± 0.0018 Å
• b: 17.752 ± 0.004 Å
• c: 12.779 ± 0.003 Å
• α: 90°
• β: 103.43 ± 0.03°
• γ: 90°
• Cell volume: 2028.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes