Information card for entry 4325186

Structure parameters

• Formula: C40 H30 N4 O
• Calculated formula: C40 H30 N4 O
• SMILES: n1ccc(n2c3c(c4c2cccc4)cccc3)c2c1c1nccc(n3c4c(c5c3cccc5)cccc4)c1cc2.O1CCCC1
• Title of publication: Solution, Solid State, and Film Properties of a Structurally Characterized Highly Luminescent Molecular Europium Plastic Material Excitable with Visible Light
• Authors of publication: Gaël Zucchi; Vajjiravel Murugesan; Denis Tondelier; Dmitry Aldakov; Taewoo Jeon; Feng Yang; Pierre Thuéry; Michel Ephritikhine; Bernard Geffroy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4851 - 4856
• a: 7.0975 ± 0.0005 Å
• b: 15.9586 ± 0.0006 Å
• c: 26.1751 ± 0.0018 Å
• α: 90°
• β: 90.979 ± 0.003°
• γ: 90°
• Cell volume: 2964.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No