Information card for entry 7228830

Structure parameters

• Formula: C290 H380 N4 O4
• Calculated formula: C290 H380 N4 O4
• Title of publication: Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine
• Authors of publication: Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 19.6056 ± 0.0017 Å
• b: 18.2484 ± 0.0016 Å
• c: 36.537 ± 0.003 Å
• α: 90°
• β: 104.497 ± 0.002°
• γ: 90°
• Cell volume: 12655.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4324
• Residual factor for significantly intense reflections: 0.1936
• Weighted residual factors for significantly intense reflections: 0.4267
• Weighted residual factors for all reflections included in the refinement: 0.5163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No