Information card for entry 7204148

Structure parameters

• Formula: C17 H16 N2 O4
• Calculated formula: C17 H16 N2 O4
• Title of publication: Simple zwitterionic merocyanines as potential NLO chromophores
• Authors of publication: Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Wyss, C. P.; Giffin, S. M.; McKinnie, I. T.; Barnes, T. H.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2271
• a: 7.987 ± 0.002 Å
• b: 10.3 ± 0.003 Å
• c: 10.806 ± 0.003 Å
• α: 118.308 ± 0.004°
• β: 106.121 ± 0.004°
• γ: 94.752 ± 0.004°
• Cell volume: 727.3 ± 0.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No