Information card for entry 2002012

Structure parameters

• Formula: C16 H14 N4 O4
• Calculated formula: C16 H14 N4 O4
• Title of publication: Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)
• Authors of publication: Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 394 - 398
• a: 7.815 ± 0.002 Å
• b: 7.07 ± 0.001 Å
• c: 14.475 ± 0.003 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 793.7 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 2.375
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No