Crystallography Open Database

Information card for entry 7100089

Preview

Coordinates	7100089.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hexamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
Formula	C12 H16 F6 O6
Calculated formula	C12 H16 F6 O6
SMILES	FC([C@H](C(=O)OCCCCCCOC(=O)[C@H](C(F)(F)F)O)O)(F)F
Journal of publication	Chemical Communications
Year of publication	2005
a	19.891 ± 0.002 Å
b	5.1138 ± 0.0002 Å
c	15.605 ± 0.001 Å
α	90°
β	100.918 ± 0.001°
γ	90°
Cell volume	1558.6 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	4
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

Version history

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