Information card for entry 3000577

Structure parameters

• Chemical name: 4-((4'-nitro-[1,1'- biphenyl]-4-yl)oxy)butanoic acid (NO2-Bi-3S)
• Formula: C16 H15 N O5
• Authors of publication: Zugenmaier
• Journal of publication: To be published in Crystals
• a: 9.931 ± 0.003 Å
• b: 11.924 ± 0.003 Å
• c: 13.344 ± 0.006 Å
• α: 104.24 ± 0.02°
• β: 110.67 ± 0.02°
• γ: 92.76 ± 0.02°
• Cell volume: 1417.1 ± 0.9 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: 0.0414
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No