Information card for entry 7251820

Structure parameters

• Formula: C17 H20 N4 O5
• Calculated formula: C17 H20 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: 24.8829 ± 0.0008 Å
• b: 6.1032 ± 0.0002 Å
• c: 23.3288 ± 0.0012 Å
• α: 90°
• β: 100.391 ± 0.004°
• γ: 90°
• Cell volume: 3484.7 ± 0.2 ų
• Cell temperature: 295 ± 0.4 K
• Ambient diffraction temperature: 295 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No