Information card for entry 4113220

Structure parameters

• Formula: C18 H11 Br
• Calculated formula: C18 H11 Br
• SMILES: Brc1c2cc3ccccc3cc2cc2ccccc12
• Title of publication: Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives
• Authors of publication: Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15322 - 15323
• a: 10.8526 ± 0.0015 Å
• b: 14.396 ± 0.002 Å
• c: 8.177 ± 0.0012 Å
• α: 90°
• β: 93.091 ± 0.011°
• γ: 90°
• Cell volume: 1275.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.1705
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.142
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No