Information card for entry 7233865

Structure parameters

• Formula: C10 H12 F2 N3 O0.5
• Calculated formula: C10 H12 F2 N3 O0.5
• SMILES: [nH+]1c(Nc2ncccc2)cccc1.F[H-]F.O
• Title of publication: Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts
• Authors of publication: Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8285 - 8294
• a: 13.945 ± 0.0002 Å
• b: 7.63438 ± 0.00009 Å
• c: 19.5974 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.37 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No