Information card for entry 1552739

Structure parameters

• Formula: C36 H32 S2 Si2
• Calculated formula: C36 H32 S2 Si2
• Title of publication: Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.
• Authors of publication: Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2019
• Journal volume: 123
• Journal issue: 35
• Pages of publication: 7558
• a: 5.936 ± 0.0002 Å
• b: 17.1042 ± 0.0006 Å
• c: 30.6034 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3107.2 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No