Crystallography Open Database

Information card for entry 7206694

7206693 << 7206694 >> 7206695

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Coordinates	7206694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 F6 O6
Calculated formula	C20 H24 F6 O6
Title of publication	A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures
Authors of publication	Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6342
a	5.3232 ± 0.001 Å
b	15.896 ± 0.003 Å
c	25.664 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2171.6 ± 0.7 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206694.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206694.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206694.cif
29986	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206694 via cif-deposit CGI script.	7206694.cif