Information card for entry 4031844

Structure parameters

• Formula: C23 H12 F3 N O2 S2
• Calculated formula: C23 H12 F3 N O2 S2
• 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: 5.7685 ± 0.0003 Å
• b: 7.7643 ± 0.0005 Å
• c: 42.4758 ± 0.0018 Å
• α: 90°
• β: 91.849 ± 0.007°
• γ: 90°
• Cell volume: 1901.43 ± 0.18 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No