Information card for entry 2005829

Structure parameters

• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• Title of publication: (<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene
• Authors of publication: Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3222 - 3224
• a: 10.027 ± 0.001 Å
• b: 11.037 ± 0.002 Å
• c: 12.472 ± 0.001 Å
• α: 90°
• β: 112.015 ± 0.009°
• γ: 90°
• Cell volume: 1279.6 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 2.876
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No