Information card for entry 4133572

Structure parameters

• Formula: C42 H26.16
• Calculated formula: C42 H26.16
• Title of publication: Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.
• Authors of publication: Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 18162 - 18172
• a: 13.0398 ± 0.0004 Å
• b: 11.6254 ± 0.0003 Å
• c: 18.7191 ± 0.0006 Å
• α: 90°
• β: 108.991 ± 0.004°
• γ: 90°
• Cell volume: 2683.23 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No