Information card for entry 4111028

Structure parameters

• Formula: C23 H14 O3
• Calculated formula: C23 H14 O3
• SMILES: O1C2=CC(=O)C=CC2=C(c2cc3c(O)cccc3cc12)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: 10.946 ± 0.0008 Å
• b: 18.944 ± 0.008 Å
• c: 8.041 ± 0.015 Å
• α: 90°
• β: 105.58 ± 0.04°
• γ: 90°
• Cell volume: 1606 ± 3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• 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: 0.271
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No