Crystallography Open Database

Information card for entry 4100900

Preview

Coordinates	4100900.cif
External links	PubChem

Structure parameters

Formula	C58 H58 Cl2 N4
Calculated formula	C58 H58 Cl2 N4
SMILES	c12ccc(cc1)Cc1ccc(Nc3c(c(C)c(Nc4ccc(cc4)Cc4ccc(Nc5c(c(c(N2)c(c5C)C)C)C)cc4)c(c3C)C)C)cc1.c1(ccccc1)Cl.c1(ccccc1)Cl
Title of publication	Supplementary Information of X-ray Crystal Analysis of RDM4
Authors of publication	Kimihisa Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	22.864 ± 0.0011 Å
b	20.6713 ± 0.001 Å
c	9.9936 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4723.3 ± 0.4 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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