Crystallography Open Database

Information card for entry 7203130

7203129 << 7203130 >> 7203131

Preview

Coordinates	7203130.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)
Formula	C13 H18 F6 O6
Calculated formula	C13.008 H18.016 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	20.812 ± 0.0011 Å
b	5.1279 ± 0.0001 Å
c	7.9655 ± 0.0004 Å
α	90°
β	96.279 ± 0.001°
γ	90°
Cell volume	844.99 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0288
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71069 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.	7203130.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203130.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203130.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203130.cif