Crystallography Open Database

Information card for entry 4100421

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Coordinates	4100421.cif
External links	ChemSpider

Structure parameters

Formula	C210 H147 N7 O14
Calculated formula	C168 H112
SMILES	c12c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccc(c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)c3ccc(cc3)c3ccc(c4c(c(c(c(c4c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)c4ccc(cc4)c4ccc(c5c(c(c(c(c5c5ccccc5)c5ccccc5)c5ccccc5)c5ccccc5)c5ccc(c6ccc2cc6)cc5)cc4)cc3)cc1
Title of publication	3^3,3^4,3^5,3^6,6^3,6^4,6^5,6^6,9^3,9^4,9^5,9^6,12^3,12^4,12^5,12^6- Hexadecaphenyl-1,2(1,4),3(1,2),4,5(1,4),6(1,2),7,8(1,4),9(1,2),10,- 11(1,4),12(1,2)-dodecabenzenacyclododecaphane Nitrobenzene Heptasolvate
Authors of publication	Song, Qiuling; .; Lebeis, Christopher W.; .; Shen, Xianfeng; .; Ho, Douglas M.; .; Pascal Jr., Robert A.; .
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	31.7079 ± 0.0012 Å
b	20.3142 ± 0.0008 Å
c	26.6109 ± 0.001 Å
α	90°
β	109.871 ± 0.002°
γ	90°
Cell volume	16120.1 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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