Information card for entry 3000574

Structure parameters

• Chemical name: methyl 2-((4'-cyano-[1,1' biphenyl]-4-yl)oxy)ethanate (CN-Bi-1-S-M)
• Formula: C16 H13 N O3
• Authors of publication: Zugenmaier
• Journal of publication: To be published in Crystals
• a: 10.775 ± 0.002 Å
• b: 8.291 ± 0.002 Å
• c: 15.753 ± 0.003 Å
• α: 90°
• β: 104.85 ± 0.005°
• γ: 90°
• Cell volume: 1360.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No