Information card for entry 7252058

Structure parameters

• Formula: C26 H16 N4 O8
• Calculated formula: C26 H16 N4 O8
• Title of publication: Positional Isomerism and Short Hydrogen Bonds Govern Photochromic Behaviour in dipyridyl-NDI…Formic Acid Co-crystals
• Authors of publication: Ishaq, Adnan; Male, Louise; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 14.243 ± 0.0003 Å
• b: 6.1344 ± 0.0001 Å
• c: 26.191 ± 0.0005 Å
• α: 90°
• β: 103.941 ± 0.002°
• γ: 90°
• Cell volume: 2220.96 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No