Crystallography Open Database

Information card for entry 1519975

1519974 << 1519975 >> 1519976

Preview

Coordinates	1519975.cif

Structure parameters

Chemical name	Methylammonium L-tartrate
Formula	C5 H11 N O6
Calculated formula	C5 H11 N O6
SMILES	C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.C[NH3+]
Title of publication	Methylammonium L-tartrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	579
a	5.158 ± 0.0005 Å
b	5.3261 ± 0.0007 Å
c	7.5218 ± 0.0006 Å
α	78.735 ± 0.008°
β	83.33 ± 0.01°
γ	79.077 ± 0.011°
Cell volume	198.31 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519975.cif
137359	2015-05-26	cif/ Adding structures of 1519975 via cif-deposit CGI script.	1519975.cif