Information card for entry 1552737

Structure parameters

• Formula: C48 H32.5 Cl O2
• Calculated formula: C48 H32.5 Cl O2
• 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: 11.4722 ± 0.0001 Å
• b: 11.9239 ± 0.0002 Å
• c: 12.9872 ± 0.0002 Å
• α: 82.0691 ± 0.0008°
• β: 84.5147 ± 0.0008°
• γ: 80.9008 ± 0.0008°
• Cell volume: 1732.48 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No