Crystallography Open Database

Information card for entry 7219622

7219621 << 7219622 >> 7219623

Preview

Coordinates	7219622.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Carglumic Acid
Chemical name	N-Carbamoyl-L-Glutamic Acid
Formula	C6 H10 N2 O5
Calculated formula	C6 H10 N2 O5
SMILES	OC(=O)CC[C@H](NC(=O)N)C(=O)O
Title of publication	Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid
Authors of publication	Maddileti, D.; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	28
Pages of publication	5252
a	5.1179 ± 0.0008 Å
b	12.2079 ± 0.0018 Å
c	12.7508 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	796.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
180527 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219622.cif
143444	2015-07-10	cif/ Updating files of 7219622, 7219623, 7219624 Original log message: Adding full bibliography for 7219622--7219624.cif.	7219622.cif
132191	2015-02-21	cif/ Adding structures of 7219622, 7219623, 7219624 via cif-deposit CGI script.	7219622.cif