Information card for entry 4124829

Structure parameters

• Chemical name: dibenzo[a,m]rubicene
• Formula: C34 H18
• Calculated formula: C34 H18
• SMILES: c12cc3ccccc3c3c4c5ccccc5c5cc6ccccc6c(c45)c(c13)c1ccccc21
• Title of publication: Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.
• Authors of publication: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 51
• Pages of publication: 16203 - 16208
• a: 45.98 ± 0.004 Å
• b: 3.9168 ± 0.0003 Å
• c: 23.698 ± 0.002 Å
• α: 90°
• β: 110.371 ± 0.002°
• γ: 90°
• Cell volume: 4001 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No