Information card for entry 4001623

Structure parameters

• Formula: C15 H8 F3 N O2
• Calculated formula: C15 H8 F3 N O2
• SMILES: FC(F)(F)c1ccc(N2C(=O)c3c(C2=O)cccc3)cc1
• Title of publication: Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds
• Authors of publication: Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 671
• a: 27.6 ± 0.02 Å
• b: 5.633 ± 0.004 Å
• c: 7.961 ± 0.007 Å
• α: 90°
• β: 95.498 ± 0.012°
• γ: 90°
• Cell volume: 1232 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No