Information card for entry 1557339

Structure parameters

• Common name: 4-Methoxyphenyl Phenyl Selenoxide
• Formula: C13 H14 O3 Se
• Calculated formula: C13 O3 Se
• SMILES: [Se](=O)(c1ccccc1)c1ccc(OC)cc1.O
• Title of publication: Structural Characterisation of Chiral 4-Methoxyphenyl Phenyl Selenoxide
• Authors of publication: Stuhr-Hansen, Nicolai; Sorensen, Henning Osholm; Henriksen, Lars; Larsen, Sine
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 1186 - 1191
• a: 5.3562 ± 0.0006 Å
• b: 13.293 ± 0.002 Å
• c: 16.927 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1205.2 ± 0.3 ų
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 2.346
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No