Crystallography Open Database

Information card for entry 4100904

Preview

Coordinates	4100904.cif
External links	ChemSpider

Structure parameters

Formula	C60 H43 Cl N4
Calculated formula	C60 H43 Cl N4
SMILES	Clc1ccccc1.N1=C2c3ccccc3C(=Nc3ccc(cc3)Cc3ccc(Nc4c5c(c(Nc6ccc(cc6)Cc6ccc1cc6)c1ccccc41)cccc5)cc3)c1ccccc21
Title of publication	Supplementary Information of X-ray Crystal Analysis of HAM4
Authors of publication	Kimihisa Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.562 ± 0.012 Å
b	13.764 ± 0.013 Å
c	15.698 ± 0.014 Å
α	81.07 ± 0.03°
β	71.43 ± 0.03°
γ	74.45 ± 0.03°
Cell volume	2275 ± 4 Å³
Cell temperature	173.1 K
Number of distinct elements	4
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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