Information card for entry 7251516

Structure parameters

• Formula: C10 H10 N8 O4
• Calculated formula: C10 H10 N8 O4
• Title of publication: Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
• Authors of publication: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1115 - 1124
• a: 6.2828 ± 0.0004 Å
• b: 7.0513 ± 0.0004 Å
• c: 14.9231 ± 0.0008 Å
• α: 85.761 ± 0.002°
• β: 88.382 ± 0.002°
• γ: 65.266 ± 0.002°
• Cell volume: 598.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No