Information card for entry 7151707

Structure parameters

• Formula: C10 H12 O3 Se
• Calculated formula: C10 H12 O3 Se
• SMILES: [Se](Cc1ccc(OC)cc1)CC(=O)O
• Title of publication: Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.
• Authors of publication: Bhuyan, Bhaskar J.; Mugesh, Govindasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1356 - 1365
• a: 5.7334 ± 0.0009 Å
• b: 7.899 ± 0.0012 Å
• c: 47.642 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 a b
• Hall space group symbol: P -2b 2a
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No