Information card for entry 7113364

Structure parameters

• Formula: C19 H18 N2 O3
• Calculated formula: C19 H18 N2 O3
• SMILES: o1c2ccccc2c2c(c1=O)c(=O)n1CCCN3CCCCc2c13
• Title of publication: Pentacyclic coumarin-based blue emitters ‒ the case of bifunctional nucleophilic behavior of amidines
• Authors of publication: Yevgen M. Poronik; Daniel T. Gryko
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5688
• a: 14.939 ± 0.0016 Å
• b: 9.9164 ± 0.0011 Å
• c: 19.963 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2957.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No