Information card for entry 1552741

Structure parameters

• Formula: C40 H36 O2 Si2
• Calculated formula: C40 H36 O2 Si2
• SMILES: [Si](C#C[C@@]12OO[C@@](c3c1cccc3)(c1c(c3ccccc3c(c21)c1ccccc1)c1ccccc1)C#C[Si](C)(C)C)(C)(C)C
• 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: 12.3334 ± 0.0003 Å
• b: 18.6789 ± 0.0004 Å
• c: 15.4407 ± 0.0003 Å
• α: 90°
• β: 112.638 ± 0.001°
• γ: 90°
• Cell volume: 3283.09 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No