Information card for entry 4032644

Structure parameters

• Formula: C42 H14 F14
• Calculated formula: C42 H14 F14
• Title of publication: Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.
• Authors of publication: Sakamoto, Youichi; Suzuki, Toshiyasu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 15
• Pages of publication: 8111 - 8116
• a: 15.5207 ± 0.0019 Å
• b: 28.081 ± 0.004 Å
• c: 7.3931 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3222.2 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No