Information card for entry 2228149

Structure parameters

• Chemical name: 1,4,5,8-Tetra-<i>n</i>-butylanthracene
• Formula: C30 H42
• Calculated formula: C30 H42
• SMILES: CCCCc1ccc(c2c1cc1c(CCCC)ccc(c1c2)CCCC)CCCC
• Title of publication: 1,4,5,8-Tetra-<i>n</i>-butylanthracene
• Authors of publication: Kitamura, Chitoshi; Tsukuda, Hideki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2565
• a: 4.793 ± 0.002 Å
• b: 11.497 ± 0.006 Å
• c: 11.753 ± 0.006 Å
• α: 83.052 ± 0.014°
• β: 82.205 ± 0.015°
• γ: 83.202 ± 0.015°
• Cell volume: 633.5 ± 0.5 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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 all reflections: 0.155
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes