Crystallography Open Database

Information card for entry 7108160

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Coordinates	7108160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H80 F8 Si2
Calculated formula	C73 H80 F8 Si2
Title of publication	Synthesis and charge transport studies of stable, soluble hexacenes
Authors of publication	Balaji Purushothaman; Sean R. Parkin; Mark J. Kendrick; Daniel David; Jeremy W. Ward; Liyang Yu; Natalie Stingelin; Oana D. Jurchescu; Oksana Ostroverkhova; John E. Anthony
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8261
a	9.5223 ± 0.0001 Å
b	10.2081 ± 0.0001 Å
c	18.3986 ± 0.0003 Å
α	89.2381 ± 0.0006°
β	80.7371 ± 0.0006°
γ	63.7452 ± 0.0006°
Cell volume	1579.62 ± 0.04 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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