Information card for entry 7251819

Structure parameters

• Formula: C29 H37 N7 O8
• Calculated formula: C29 H37 N7 O8
• 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: 20.1578 ± 0.0005 Å
• b: 4.90086 ± 0.00014 Å
• c: 32.5043 ± 0.0009 Å
• α: 90°
• β: 90.875 ± 0.002°
• γ: 90°
• Cell volume: 3210.74 ± 0.15 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No