Crystallography Open Database

Information card for entry 4101230

Preview

Coordinates	4101230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O4
Calculated formula	C18 H26 O4
SMILES	O=C1[C@@H]([C@H]2O[C@H]([C@H]3[C@@H]2C3/C=C\CC(=O)OC(C)(C)C)[C@@H]1C)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	9.1533 ± 0.0003 Å
b	10.3494 ± 0.0003 Å
c	10.603 ± 0.0003 Å
α	92.71 ± 0.0018°
β	108.658 ± 0.0018°
γ	114.178 ± 0.0013°
Cell volume	849.49 ± 0.04 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	3
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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