Crystallography Open Database

Information card for entry 1514868

Preview

Coordinates	1514868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 F6 O6
Calculated formula	C18 H14 F6 O6
SMILES	FC(F)(F)[C@@H](O)C(=O)OCc1cc2c(cc1COC(=O)[C@H](O)C(F)(F)F)cccc2
Title of publication	A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.
Authors of publication	Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa
Journal of publication	Nanoscale
Year of publication	2013
Journal volume	5
Journal issue	4
Pages of publication	1298 - 1300
a	13.308 ± 0.006 Å
b	5.176 ± 0.003 Å
c	15.272 ± 0.007 Å
α	90°
β	98.749 ± 0.01°
γ	90°
Cell volume	1039.7 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.3487
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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