Information card for entry 4117249

Structure parameters

• Common name: (2-(benzylseleninyl)phenyl)methanol
• Chemical name: (2-(benzylseleninyl)phenyl)methanol
• Formula: C14 H14 O2 Se
• Calculated formula: C14 H14 O2 Se
• SMILES: [Se](=O)(Cc1ccccc1)c1ccccc1CO
• Title of publication: GPx-Like Activity of Selenides and Selenoxides: Experimental Evidence for the Involvement of Hydroxy Perhydroxy Selenane as the Active Species
• Authors of publication: Vanessa Nascimento; Eduardo E. Alberto; Daniel W. Tondo; Daniel Dambrowski; Michael R. Detty; Faruk Nome; Antonio L. Braga
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 138 - 141
• a: 4.763 ± 0.0001 Å
• b: 11.2526 ± 0.0002 Å
• c: 22.7956 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.76 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No