Crystallography Open Database

Information card for entry 7100093

Preview

Coordinates	7100093.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nonamethylene-(R,S)-(±)-bis(3,3,3-trifluorolactate)
Formula	C15 H22 F6 O6
Calculated formula	C15 H22 F6 O6
SMILES	FC(F)(F)[C@H](O)C(=O)OCCCCCCCCCOC(=O)[C@H](O)C(F)(F)F
Journal of publication	Chemical Communications
Year of publication	2005
a	5.3266 ± 0.0007 Å
b	20.331 ± 0.005 Å
c	16.967 ± 0.004 Å
α	90°
β	94.52 ± 0.01°
γ	90°
Cell volume	1831.8 ± 0.7 Å³
Cell temperature	115 ± 1 K
Ambient diffraction temperature	115 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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