Information card for entry 1514773

Structure parameters

• Common name: zethrene
• Chemical name: Dibenzo[de,mn]naphthacene
• Formula: C24 H14
• Calculated formula: C24 H14
• SMILES: c1cc2cccc3c2c(c1)c1cc2cccc4c2c(c1c3)ccc4
• Title of publication: Revisiting zethrene: synthesis, reactivity and semiconductor properties
• Authors of publication: Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3294
• a: 11.6522 ± 0.0013 Å
• b: 5.4552 ± 0.0006 Å
• c: 11.4821 ± 0.0012 Å
• α: 90°
• β: 90.607 ± 0.002°
• γ: 90°
• Cell volume: 729.82 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No