Information card for entry 7202968

Structure parameters

• Common name: 1,4,7,10-tetra(n-butyl)tetracene, form A
• Formula: C34 H44
• Calculated formula: C34 H44
• SMILES: c1(ccc(c2c1cc1c(cc3c(ccc(c3c1)CCCC)CCCC)c2)CCCC)CCCC
• Title of publication: Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene
• Authors of publication: Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 644
• a: 33.27 ± 0.04 Å
• b: 4.739 ± 0.004 Å
• c: 21.54 ± 0.02 Å
• α: 90°
• β: 127.46 ± 0.01°
• γ: 90°
• Cell volume: 2696 ± 5 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No