Information card for entry 1555207

Structure parameters

• Formula: C42 H22 F6
• Calculated formula: C42 H22 F6
• SMILES: FC(F)(F)c1ccc(c2c3ccc4c(c5ccccc5c5c6ccccc6c(c6ccccc26)c3c45)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: 9.9256 ± 0.0003 Å
• b: 11.9918 ± 0.0003 Å
• c: 12.9082 ± 0.0004 Å
• α: 90.335 ± 0.0017°
• β: 100.557 ± 0.0017°
• γ: 103.488 ± 0.0017°
• Cell volume: 1466.85 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No