Information card for entry 7221549

Structure parameters

• Formula: C27 H15 F12 N5 O
• Calculated formula: C27 H15 F12 N5 O
• SMILES: FC(F)(F)c1c2c(nc(N(c3ccccc3)c3nc4nc(C(F)(F)F)cc(C(F)(F)F)c4cc3)cc2)nc(C(F)(F)F)c1.OC
• 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: 35.203 ± 0.015 Å
• b: 4.925 ± 0.002 Å
• c: 30.419 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5274 ± 4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No