Information card for entry 7221548

Structure parameters

• Formula: C26 H11 F12 N5
• Calculated formula: C26 H11 F12 N5
• SMILES: FC(F)(F)c1c2c(nc(N(c3nc4nc(cc(c4cc3)C(F)(F)F)C(F)(F)F)c3ccccc3)cc2)nc(c1)C(F)(F)F
• Title of publication: Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli
• Authors of publication: Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 46
• Pages of publication: 8825
• a: 10.1185 ± 0.0018 Å
• b: 11.019 ± 0.002 Å
• c: 22.947 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2558.5 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No