Information card for entry 3000581

Structure parameters

• Chemical name: 2-((4'-nitro-[1,1' biphenyl]-4-yl)oxy)ethanic acid N,N-dimethylacetamide (NO2-Bi-1-S-DMAc)
• Formula: C18 H20 N2 O6
• Authors of publication: Zugenmaier
• Journal of publication: To be published in Crystals
• a: 5.936 ± 0.002 Å
• b: 11.423 ± 0.003 Å
• c: 14.004 ± 0.003 Å
• α: 109.41 ± 0.02°
• β: 91.64 ± 0.02°
• γ: 96.26 ± 0.02°
• Cell volume: 888.1 ± 0.4 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: 0.0423
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No