Crystallography Open Database

Information card for entry 7100090

Preview

Coordinates	7100090.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Heptamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
Formula	C13 H18 F6 O6
Calculated formula	C13 H18 F6 O6
SMILES	C(C(C(=O)OCCCCCCCOC(=O)C(C(F)(F)F)O)O)(F)(F)F
Journal of publication	Chemical Communications
Year of publication	2005
a	15.613 ± 0.003 Å
b	21.793 ± 0.004 Å
c	5.0901 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1731 ± 1 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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