Information card for entry 7216696

Structure parameters

• Formula: C24 H12 F6
• Calculated formula: C24 H12 F6
• SMILES: FC(F)(F)c1c2cc(C#Cc3ccccc3)ccc2c(c2c1cccc2)C(F)(F)F
• Title of publication: Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives
• Authors of publication: Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 19
• Pages of publication: 6803 - 6806
• a: 9.624 ± 0.003 Å
• b: 9.777 ± 0.003 Å
• c: 10.267 ± 0.003 Å
• α: 89.282 ± 0.007°
• β: 73.95 ± 0.006°
• γ: 86.894 ± 0.006°
• Cell volume: 927 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No