Crystallography Open Database

Information card for entry 2101795

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Coordinates	2101795.cif
Original IUCr paper	HTML

Structure parameters

Formula	C73 H108 O12
Calculated formula	C73 H108 O12
SMILES	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Title of publication	The perils of <i>Cc</i> revisited
Authors of publication	Marsh, R. E.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	2
Pages of publication	317 - 322
a	25.442 ± 0.008 Å
b	10.051 ± 0.003 Å
c	27.062 ± 0.01 Å
α	90°
β	94.5 ± 0.1°
γ	90°
Cell volume	6899 ± 4 Å³
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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