Information card for entry 1508213

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: 6.306 ± 0.006 Å
• b: 7.697 ± 0.01 Å
• c: 16.48 ± 0.016 Å
• α: 98.77 ± 0.04°
• β: 91.25 ± 0.03°
• γ: 95.81 ± 0.05°
• Cell volume: 785.9 ± 1.5 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: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.3608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.908
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No