Crystallography Open Database

Information card for 4124828

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Structure parameters

Chemical name 5,14-di(trimethylsilylethynyl)dibenzo[a,m]rubicene
Formula - C44 H34 Si2 -
Calculated formula - C44 H34 Si2 -
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 23.848 ± 0.003 Å
b 19.628 ± 0.003 Å
c 7.4604 ± 0.0009 Å
α 90°
β 90°
γ 90°
Cell volume 3492.1 ± 0.8 Å3
Cell temperature 296 ± 2 K
Ambient diffraction temperature 296 ± 2 K
Number of distinct elements 3
Hermann-Mauguin symmetry space group P c a 21
Hall symmetry space group P 2c -2ac
Residual factor for all reflections 0.1532
Residual factor for observed reflections 0.0673
Weighted residual factors for the observed reflections 0.1331
Weighted residual factors for all reflections included in the refinement 0.1873
Goodness-of-fit parameter for observed reflections 0.956
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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