Information card for entry 2015142

Structure parameters

• Chemical name: dimethyl selenoxide
• Formula: C2 H6 O Se
• Calculated formula: C2 H6 O Se
• SMILES: [Se](=O)(C)C
• Title of publication: Dimethyl selenoxide
• Authors of publication: Filatov, Alexander S.; Block, Eric; Petrukhina, Marina A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o596 - o598
• a: 4.9794 ± 0.0007 Å
• b: 6.147 ± 0.0009 Å
• c: 6.8905 ± 0.001 Å
• α: 106.85 ± 0.002°
• β: 90.177 ± 0.002°
• γ: 94.213 ± 0.002°
• Cell volume: 201.24 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes