Information card for entry 4031845

Structure parameters

• Formula: C25 H14 F3 N O2
• Calculated formula: C25 H14 F3 N O2
• SMILES: FC(F)(F)c1ccc(N2C(=O)c3ccc(cc3C2=O)c2ccc3ccccc3c2)cc1
• Title of publication: Phthalimide Compounds Containing a Trifluoromethylphenyl Group and Electron-Donating Aryl Groups: Color-Tuning and Enhancement of Triboluminescence.
• Authors of publication: Nishida, Jun-Ichi; Ohura, Hokuto; Kita, Yasuyuki; Hasegawa, Hiroyuki; Kawase, Takeshi; Takada, Noriyuki; Sato, Hiroyasu; Sei, Yoshihisa; Yamashita, Yoshiro
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 433 - 441
• a: 5.90211 ± 0.00011 Å
• b: 7.66146 ± 0.00014 Å
• c: 40.2458 ± 0.0007 Å
• α: 90°
• β: 93.335 ± 0.007°
• γ: 90°
• Cell volume: 1816.78 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No