Crystallography Open Database

Information card for entry 1514867

Preview

Coordinates	1514867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H16.5 F6 O6
Calculated formula	C21.5 H16.5 F6 O6
SMILES	FC(F)(F)[C@@H](O)C(=O)OCc1cc2c(cc1COC(=O)[C@H](O)C(F)(F)F)cccc2.c1cccc2cc3ccccc3cc12
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	13.1176 ± 0.001 Å
b	5.17328 ± 0.00011 Å
c	17.1353 ± 0.0012 Å
α	90°
β	112.756 ± 0.008°
γ	90°
Cell volume	1072.31 ± 0.13 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	0.0583
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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