Information card for entry 7216700

Structure parameters

• Formula: C21 H8 F16
• Calculated formula: C21 H8 F16
• SMILES: FC(F)(c1c2ccccc2c(c2c1cccc2)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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: 15.259 ± 0.004 Å
• b: 11.705 ± 0.003 Å
• c: 12.681 ± 0.003 Å
• α: 90°
• β: 113.096 ± 0.005°
• γ: 90°
• Cell volume: 2083.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No