Crystallography Open Database

Information card for entry 7203132

7203131 << 7203132 >> 7203133

Preview

Coordinates	7203132.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate
Formula	C17.24 H27.04 F6 O6
Calculated formula	C15 H22 F6 O6
Title of publication	Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components
Authors of publication	Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	132
a	27.753 ± 0.011 Å
b	4.9906 ± 0.001 Å
c	7.992 ± 0.003 Å
α	90°
β	95.942 ± 0.005°
γ	90°
Cell volume	1101 ± 0.6 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180362 (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 7/20/31.	7203132.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203132.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203132.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203132.cif