Information card for entry 4036346

Structure parameters

• Formula: C30 H20 F6
• Calculated formula: C30 H20 F6
• SMILES: C(C1c2c(C(c3c1cccc3)C1c3c(C(C(F)(F)F)c4c1cccc4)cccc3)cccc2)(F)(F)F
• 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: 11.1233 ± 0.0013 Å
• b: 16.569 ± 0.002 Å
• c: 11.7812 ± 0.0014 Å
• α: 90°
• β: 92.882 ± 0.002°
• γ: 90°
• Cell volume: 2168.6 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No