Information card for entry 1575729

Structure parameters

• Formula: C14 H12 N2 O4 Se2
• Calculated formula: C14 H12 N2 O4 Se2
• Title of publication: Light responsive hydrogen selenide (H₂Se)/hydrogen diselenide (H₂Se₂) donors: applied for protein <i>S</i>-selenylation on PRDX6.
• Authors of publication: Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19178 - 19186
• a: 7.8636 ± 0.001 Å
• b: 7.4532 ± 0.001 Å
• c: 26.182 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No