Crystallography Open Database

Information card for entry 7203272

7203271 << 7203272 >> 7203273

Preview

Coordinates	7203272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H27.5 O2
Calculated formula	C16.5 H28.5 O2
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	13.773 ± 0.002 Å
b	13.773 ± 0.002 Å
c	6.998 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1149.6 ± 0.4 Å³
Cell temperature	294 K
Number of distinct elements	3
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.68
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.	7203272.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203272.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203272.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203272.cif