Crystallography Open Database

Information card for entry 4101155

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Coordinates	4101155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30
Calculated formula	C46 H30
SMILES	c12cc3c(cc1c(c1c(c2c2ccccc2)cccc1)c1ccccc1)c(c1c(c3c2ccccc2)cccc1)c1ccccc1
Title of publication	Organization of Acenes with a Cruciform Assembly Motif
Authors of publication	Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	27.8621 ± 0.0015 Å
b	8.0786 ± 0.0004 Å
c	16.0279 ± 0.0009 Å
α	90°
β	116.755 ± 0.005°
γ	90°
Cell volume	3221.4 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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