Information card for entry 2231968

Structure parameters

• Chemical name: 1,7-Diethyl-4,10-diisopropyltetracene
• Formula: C28 H32
• Calculated formula: C28 H32
• SMILES: CCc1ccc(c2c1cc1cc3c(ccc(c3cc1c2)CC)C(C)C)C(C)C
• Title of publication: 1,7-Diethyl-4,10-diisopropyltetracene
• Authors of publication: Kitamura, Chitoshi; Kano, Hiroyuki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2611
• a: 12.901 ± 0.004 Å
• b: 5.057 ± 0.002 Å
• c: 16.962 ± 0.006 Å
• α: 90°
• β: 106.513 ± 0.009°
• γ: 90°
• Cell volume: 1061 ± 0.7 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes