Information card for entry 4032750

Structure parameters

• Formula: C42 F28
• Calculated formula: C42 F28
• 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: 8.9017 ± 0.0017 Å
• b: 10.527 ± 0.002 Å
• c: 17.992 ± 0.004 Å
• α: 90°
• β: 90.408 ± 0.008°
• γ: 90°
• Cell volume: 1686 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No