Information card for entry 4124827

Structure parameters

• Formula: C56 H58 Si2
• Calculated formula: C56 H58 Si2
• SMILES: [Si](C(C)C)(C(C)C)(C(C)C)C#Cc1c2ccccc2c2c3c(c4ccccc4c13)c1c3c(c(c4c5c(c2c14)cccc5)C#C[Si](C(C)C)(C(C)C)C(C)C)cccc3
• 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: 13.4961 ± 0.0007 Å
• b: 13.5842 ± 0.0007 Å
• c: 15.511 ± 0.0012 Å
• α: 109.1 ± 0.001°
• β: 91.269 ± 0.002°
• γ: 117.72 ± 0.001°
• Cell volume: 2326.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1847
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2997
• Weighted residual factors for all reflections included in the refinement: 0.3654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No