Information card for entry 4109709

Structure parameters

• Common name: 5,11-bis(p-octylphenyl)indolocarbazole
• Formula: C46 H52 N2
• Calculated formula: C46 H52 N2
• SMILES: c1cccc2n(c3cc4c5ccccc5n(c4cc3c12)c1ccc(cc1)CCCCCCCC)c1ccc(cc1)CCCCCCCC
• Title of publication: Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors
• Authors of publication: Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9125 - 9136
• a: 20.2822 ± 0.0016 Å
• b: 20.4888 ± 0.0016 Å
• c: 22.2315 ± 0.0018 Å
• α: 63.813 ± 0.001°
• β: 87.3 ± 0.001°
• γ: 62.565 ± 0.001°
• Cell volume: 7214.9 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2102
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No