Information card for entry 2007762

Structure parameters

• Chemical name: 2-phenyl-cis-4,6-dimethyl-1,3-diselenane
• Formula: C12 H16 Se2
• Calculated formula: C12 H16 Se2
• SMILES: [Se]1C([Se][C@@H](C[C@@H]1C)C)c1ccccc1
• Title of publication: <i>cis</i>-4,6-Dimethyl-2-phenyl-1,3-diselenane
• Authors of publication: Baudoux, Guy; Norberg, Bernadette; Wouters, Johan; Defrère, Laurent; Krief, Alain; Evrard, Guy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1505 - 1507
• a: 8.582 ± 0.005 Å
• b: 9.609 ± 0.005 Å
• c: 31.213 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2574 ± 2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No