Information card for entry 3000582

Structure parameters

• Chemical name: 2-(4-nitrophenoxy)acetic acid (NO2-Ph-1S)
• Formula: C8 H6.5 N O5
• Authors of publication: Zugenmaier
• Journal of publication: To be published in Crystals
• a: 6.9682 ± 0.0009 Å
• b: 7.6771 ± 0.0009 Å
• c: 8.3131 ± 0.0009 Å
• α: 71.47 ± 0.01°
• β: 88.693 ± 0.008°
• γ: 84.087 ± 0.009°
• Cell volume: 419.39 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No