Crystallography Open Database

Information card for entry 2105558

Preview

Coordinates	2105558.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H11 N3 O4
Calculated formula	C6 H11 N3 O4
Title of publication	Experimental Charge Density and Electrostatic Potential of Triglycine
Authors of publication	Pichon-Pesme, V.; Lecomte, C.
Journal of publication	Acta Crystallographica Section B
Year of publication	1998
Journal volume	54
Journal issue	4
Pages of publication	485 - 493
a	11.585 ± 0.001 Å
b	14.603 ± 0.002 Å
c	4.8 ± 0.004 Å
α	89.28 ± 0.03°
β	95.55 ± 0.02°
γ	104.484 ± 0.008°
Cell volume	782.5 ± 0.7 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190732 (current)	2017-01-19	cif/2/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entries 2003351, 2003494, 2003495, 2003544, 2003819, 2003822, 2003823, 2003851, 2003860, 2003902, 2004241, 2004357, 2004420, 2005017, 2005160, 2005318, 2005319, 2005686, 2005806, 2006025, 2006084, 2006119, 2006347, 2006449, 2006517, 2006518, 2007122, 2007316, 2007317, 2009437, 2009483, 2009484, 2009485, 2010007, 2010230, 2010285, 2010313, 2010331, 2010433, 2100766, 2100836, 2101474, 2101475, 2105558.	2105558.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105558.cif
90919	2013-11-21	cif/ Adding structures of 2105558 via cif-deposit CGI script.	2105558.cif