Information card for entry 1573717

Structure parameters

• Formula: C10 H12 O Se
• Calculated formula: C10 H12 O Se
• SMILES: c1c(c2CCC(C(=O)c2[se]1)C)C
• Title of publication: Monoterpenoid selenophenes derived from (-)-carvone with GPx-like activity.
• Authors of publication: Telo, João P; Veiros, Luis F.; André, Vânia; da Silva, João Ferreira; Justino, Gonçalo C; Antunes, Alexandra M. M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 2153 - 2161
• a: 7.3 ± 0.007 Å
• b: 10.358 ± 0.009 Å
• c: 12.964 ± 0.012 Å
• α: 90°
• β: 91.02 ± 0.02°
• γ: 90°
• Cell volume: 980.1 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No