Information card for entry 4122849

Structure parameters

• Formula: C48 H24
• Calculated formula: C48 H24
• SMILES: c12c3c4c5c6c(c7c(c8c6c3c(c3ccccc83)c3c1cccc3)cccc7)c1ccccc1c5c1ccccc1c4c1ccccc21
• Title of publication: Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.
• Authors of publication: Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15749 - 15756
• a: 12.2985 ± 0.0019 Å
• b: 7.9282 ± 0.0012 Å
• c: 13.998 ± 0.002 Å
• α: 90°
• β: 90.123 ± 0.002°
• γ: 90°
• Cell volume: 1364.9 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 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: 0.1164
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No