Information card for entry 4111024

Structure parameters

• Formula: C27 H26 O5
• Calculated formula: C27 H26 O5
• SMILES: OC(c1c(OC)ccc2c(OC)cccc12)(c1c(OC)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: 8.6597 ± 0.0015 Å
• b: 11.155 ± 0.002 Å
• c: 11.818 ± 0.003 Å
• α: 100.03 ± 0.01°
• β: 99.201 ± 0.013°
• γ: 97.783 ± 0.013°
• Cell volume: 1093.9 ± 0.4 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: 0.096
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No