Crystallography Open Database

Information card for entry 1507424

Preview

Coordinates	1507424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30
Calculated formula	C34 H30
SMILES	c1(c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#CC(C)(C)C)C#CC(C)(C)C
Title of publication	A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives
Authors of publication	Anthony, John E.; Eaton, David L.; Parkin, Sean R.
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	1
Pages of publication	15
a	25.074 ± 0.0014 Å
b	6.482 ± 0.0004 Å
c	19.246 ± 0.0011 Å
α	90°
β	124.441 ± 0.003°
γ	90°
Cell volume	2579.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 1 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	0.0965
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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/1507424.html