Information card for entry 1508212

Structure parameters

• Formula: C26 H16
• Calculated formula: C26 H16
• Title of publication: The synthesis, crystal structure and charge-transport properties of hexacene.
• Authors of publication: Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 574 - 578
• a: 6.292 ± 0.004 Å
• b: 7.673 ± 0.004 Å
• c: 16.424 ± 0.008 Å
• α: 98.66 ± 0.04°
• β: 91.16 ± 0.04°
• γ: 95.71 ± 0.04°
• Cell volume: 779.5 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No