Crystallography Open Database

Information card for entry 7100324

Preview

Coordinates	7100324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H120 O4
Calculated formula	C76 H120 O4
SMILES	O(c1c2Cc3c(OCCCCCCCCCCCC)c(ccc3)Cc3c(OCCCCCCCCCCCC)c(Cc4c(OCCCCCCCCCCCC)c(Cc1ccc2)ccc4)ccc3)CCCCCCCCCCCC
Title of publication	Amphiphilic Behavior of an Apparently Non-polar Calix-arene
Authors of publication	Anthony Coleman; Srinivasan S. Kuduva; Patrick Shahgaldian; Michael J. Zaworotko
Journal of publication	Chemical Communications
Year of publication	2005
a	18.76 ± 0.003 Å
b	19.969 ± 0.003 Å
c	36.601 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	13711 ± 4 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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