Crystallography Open Database

Information card for entry 4101157

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Coordinates	4101157.cif

Structure parameters

Formula	C58 H38
Calculated formula	C58 H38
SMILES	c1(c2cc3c(c4ccccc4)ccc(c3cc2c(c2c1cc1c(ccc(c1c2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
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	6.1995 ± 0.0007 Å
b	11.0201 ± 0.0013 Å
c	14.7 ± 0.0015 Å
α	95.66 ± 0.009°
β	96.6 ± 0.009°
γ	104.52 ± 0.01°
Cell volume	957.25 ± 0.19 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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