Information card for entry 7251455

Structure parameters

• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• Title of publication: Four polymorphic structures of a symmetric azo dye
• Authors of publication: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 8.8556 ± 0.0002 Å
• b: 10.0594 ± 0.0003 Å
• c: 21.7173 ± 0.0006 Å
• α: 90°
• β: 98.001 ± 0.003°
• γ: 90°
• Cell volume: 1915.79 ± 0.09 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No