Information card for entry 4111025

Structure parameters

• Formula: C27 H26 O5
• Calculated formula: C27 H26 O5
• SMILES: OC(c1c(OC)cc2cccc(OC)c2c1)(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: 11.822 ± 0.005 Å
• b: 14.537 ± 0.009 Å
• c: 15.298 ± 0.011 Å
• α: 64.48 ± 0.02°
• β: 69.89 ± 0.03°
• γ: 88.38 ± 0.03°
• Cell volume: 2206 ± 2 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: 0.179
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No