Crystallography Open Database

Information card for entry 7203273

7203272 << 7203273 >> 7203274

Preview

Coordinates	7203273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 F3 O4
Calculated formula	C17 H27 F3 O4
Title of publication	Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule
Authors of publication	Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	3
Pages of publication	250
a	7.328 ± 0.002 Å
b	13.46 ± 0.002 Å
c	19.037 ± 0.004 Å
α	90°
β	91.87 ± 0.01°
γ	90°
Cell volume	1876.7 ± 0.7 Å³
Cell temperature	294 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
Residual factor for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	2.22
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203273.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203273.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203273.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203273.cif