Information card for entry 7251513

Structure parameters

• Formula: C7 H10 N4 O4
• Calculated formula: C7 H10 N4 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: 5.854 ± 0.0001 Å
• b: 16.7182 ± 0.0004 Å
• c: 9.2006 ± 0.0002 Å
• α: 90°
• β: 101.171 ± 0.0008°
• γ: 90°
• Cell volume: 883.39 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No