Information card for entry 1575730

Structure parameters

• Formula: C14 H12 N2 O4 Se
• Calculated formula: C14 H12 N2 O4 Se
• 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: 23.838 ± 0.004 Å
• b: 4.4908 ± 0.0007 Å
• c: 13.269 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1420.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No