Information card for entry 7251821

Structure parameters

• Formula: C15 H16 N4 O5
• Calculated formula: C15 H16 N4 O5
• Title of publication: Modulating some photophysical properties of cocrystals
• Authors of publication: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 12.5882 ± 0.0002 Å
• b: 5.1749 ± 0.00007 Å
• c: 23.3666 ± 0.0004 Å
• α: 90°
• β: 91.8814 ± 0.0016°
• γ: 90°
• Cell volume: 1521.34 ± 0.04 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No