Information card for entry 7204044

Structure parameters

• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• Title of publication: A simple, novel method for the preparation of polymer-tetherable, zwitterionic merocyanine NLO-chromophores
• Authors of publication: Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Barnes, T. H.; McKinnie, I. T.; Wyss, C. P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 996
• a: 7.761 ± 0.006 Å
• b: 10.257 ± 0.007 Å
• c: 11.119 ± 0.008 Å
• α: 73.408 ± 0.012°
• β: 80.744 ± 0.012°
• γ: 70.24 ± 0.014°
• Cell volume: 796.3 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2327
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections: 0.793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No