Crystallography Open Database

Information card for entry 2019336

2019335 << 2019336 >> 2019337

Preview

Coordinates	2019336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 F12 O4
Calculated formula	C10 H6 F12 O4
SMILES	FC([C@]12C[C@@](O[C@@]2(C[C@@](O1)(O)C(F)(F)F)C(F)(F)F)(O)C(F)(F)F)(F)F.FC([C@@]12C[C@](O[C@]2(C[C@](O1)(O)C(F)(F)F)C(F)(F)F)(O)C(F)(F)F)(F)F
Title of publication	1,3,5,7-Tetrakis(trifluoromethyl)-2,6-dioxabicyclo[3.3.0]octane-3,7-diol
Authors of publication	George, C.; Purdy, A.
Journal of publication	Acta Crystallographica Section C Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	445
a	23.462 ± 0.005 Å
b	10.6 ± 0.002 Å
c	23.907 ± 0.006 Å
α	90°
β	102.08 ± 0.02°
γ	90°
Cell volume	5814 ± 2 Å³
Cell temperature	295 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
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.048
Goodness-of-fit parameter for significantly intense reflections	1.25
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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