Crystallography Open Database

Information card for entry 7201834

7201833 << 7201834 >> 7201835

Preview

Coordinates	7201834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30
Calculated formula	C34 H30
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	19.8513 ± 0.0004 Å
b	5.3006 ± 0.0001 Å
c	22.6989 ± 0.0005 Å
α	90°
β	93.5526 ± 0.0008°
γ	90°
Cell volume	2383.87 ± 0.08 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7201834.html