Information card for entry 7251454

Structure parameters

• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N 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: 6.9802 ± 0.0003 Å
• b: 8.0029 ± 0.0004 Å
• c: 10.9422 ± 0.0007 Å
• α: 69.905 ± 0.005°
• β: 72.221 ± 0.005°
• γ: 68.201 ± 0.005°
• Cell volume: 521.8 ± 0.05 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No