Information card for entry 1555208

Structure parameters

• Formula: C42 H22 F6
• Calculated formula: C42 H22 F6
• SMILES: FC(F)(F)c1ccc(c2c3ccccc3c3c4cccc5c(c6ccccc6c(c6cccc2c36)c45)c2ccc(cc2)C(F)(F)F)cc1
• Title of publication: Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.
• Authors of publication: Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4224 - 4227
• a: 9.5341 ± 0.0002 Å
• b: 17.1742 ± 0.0004 Å
• c: 34.8068 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5699.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No