Crystallography Open Database

Information card for entry 7201839

7201838 << 7201839 >> 7201840

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Coordinates	7201839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Si2
Calculated formula	C42 H50 Si2
Title of publication	The influence of side chains on the structures and properties of functionalized pentacenes
Authors of publication	Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.
Journal of publication	Journal of Materials Chemistry
Year of publication	2008
Journal volume	18
Journal issue	17
Pages of publication	1961
a	10.6177 ± 0.0002 Å
b	13.6171 ± 0.0003 Å
c	14.0829 ± 0.0003 Å
α	75.154 ± 0.001°
β	73.915 ± 0.001°
γ	71.123 ± 0.001°
Cell volume	1819.86 ± 0.07 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 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	0.1097
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2414
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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