Information card for entry 4312373

Structure parameters

• Chemical name: dimethyl selenone
• Formula: C2 H6 O2 Se
• Calculated formula: C2 H6 O2 Se
• SMILES: C[Se](=O)(C)=O
• Title of publication: The First Coordination Complexes of Selenones: A Structural Comparison with Complexes of Sulfones
• Authors of publication: Evgeny V. Dikarev; Renee Y. Becker; Eric Block; Zhixing Shan; R. Curtis Haltiwanger; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7098 - 7105
• a: 8.8118 ± 0.0009 Å
• b: 8.448 ± 0.0009 Å
• c: 6.9904 ± 0.0007 Å
• α: 90°
• β: 120.184 ± 0.002°
• γ: 90°
• Cell volume: 449.82 ± 0.08 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No