Information card for entry 4036345

Structure parameters

• Formula: C30 H20 F6
• Calculated formula: C30 H20 F6
• SMILES: FC(F)(F)C1c2c(C(c3ccccc13)C1c3ccccc3C(c3c1cccc3)C(F)(F)F)cccc2
• Title of publication: Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.
• Authors of publication: Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 18
• Pages of publication: 9208 - 9213
• a: 8.9617 Å
• b: 18.2627 Å
• c: 27.926 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4570.5 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No