Information card for entry 1573718

Structure parameters

• Formula: C20 H22 O2 Se2
• Calculated formula: C20 H22 O2 Se2
• SMILES: [se]1c2C(=O)[C@@]([C@@]3(C(=O)c4[se]cc(c4CC3)C)C)(CCc2c(c1)C)C.[se]1c2C(=O)[C@]([C@]3(C(=O)c4[se]cc(c4CC3)C)C)(CCc2c(c1)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: 10.0831 ± 0.0014 Å
• b: 10.4303 ± 0.0015 Å
• c: 10.7237 ± 0.0016 Å
• α: 71.641 ± 0.006°
• β: 70.303 ± 0.006°
• γ: 63.501 ± 0.006°
• Cell volume: 932 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1052
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No