Information card for entry 7153261

Structure parameters

• Formula: C9 H10 O5 Se
• Calculated formula: C9 H10 O5 Se
• Title of publication: 5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.
• Authors of publication: Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 828 - 834
• a: 11.9653 ± 0.0004 Å
• b: 5.1029 ± 0.0002 Å
• c: 17.4167 ± 0.0008 Å
• α: 90°
• β: 110.947 ± 0.004°
• γ: 90°
• Cell volume: 993.14 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No