Information card for entry 4111026

Structure parameters

• Formula: C26 H24 O5
• Calculated formula: C26 H24 O5
• SMILES: OC(c1c(OC)cc2cccc(OC)c2c1)(c1c(O)cc(OC)cc1)c1ccccc1
• Title of publication: An Organic White Light-Emitting Fluorophore
• Authors of publication: Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14081 - 14092
• a: 9.504 ± 0.002 Å
• b: 10.972 ± 0.003 Å
• c: 11.785 ± 0.004 Å
• α: 66.744 ± 0.017°
• β: 90.325 ± 0.016°
• γ: 71.375 ± 0.018°
• Cell volume: 1057.6 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No