Crystallography Open Database

Information card for entry 2311127

Preview

Coordinates	2311127.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Glycine‒<i>D</i>-tartaric acid (1/1)
Formula	C6 H11 N O8
Calculated formula	C6 H11 N O8
SMILES	C(=O)([C@@H]([C@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-].C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C(=O)(C[NH3+])[O-]
Title of publication	Glycine-d-tartaric acid (1/1).
Authors of publication	Mohandas, T.; Inbaseelan, C. Ranjith Dev; Saravanan, S.; Sakthivel, P.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 2
Pages of publication	o236
a	4.8387 ± 0.0002 Å
b	9.2913 ± 0.0004 Å
c	20.0273 ± 0.0008 Å
α	90°
β	90.171 ± 0.001°
γ	90°
Cell volume	900.38 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
245599 (current)	2019-12-25	cif/ Adding structures of 2311127 via cif-deposit CGI script.	2311127.cif