Crystallography Open Database

Information card for entry 7206369

7206368 << 7206369 >> 7206370

Preview

Coordinates	7206369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 Li N O3
Calculated formula	C5 H8 Li N O3
SMILES	[Li][O]=CN.[O-]C(=O)/C=C/C
Title of publication	Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate
Authors of publication	Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4339
a	23.2503 ± 0.0007 Å
b	4.9968 ± 0.0003 Å
c	14.8231 ± 0.0005 Å
α	90°
β	120.128 ± 0.0014°
γ	90°
Cell volume	1489.46 ± 0.11 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for all reflections	0.0925
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	0.9799
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7206369.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206369.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206369.cif
27348	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7206368, 7206369 via cif-deposit CGI script.	7206369.cif