Crystallography Open Database

Information card for entry 2310002

Preview

Coordinates	2310002.cif
Original IUCr paper	HTML

Structure parameters

Common name	α-Glycine
Formula	C2 H5 N O2
Calculated formula	C2 H5 N O2
SMILES	C(=O)([O-])C[NH3+]
Title of publication	Experimental dynamic electron densities of multipole models at different temperatures
Authors of publication	Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander
Journal of publication	Acta Crystallographica Section A
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	568 - 581
a	5.087 ± 0.002 Å
b	11.773 ± 0.003 Å
c	5.46 ± 0.002 Å
α	90°
β	111.99 ± 0.015°
γ	90°
Cell volume	303.21 ± 0.18 Å³
Ambient diffraction temperature	23 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	0.014
Residual factor for significantly intense reflections	0.012
Weighted residual factors for all reflections included in the refinement	0.015
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2310002.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2310002.cif
71210	2013-01-18	cif/ Adding structures of 2310002, 2310003, 2310004, 2310005 via cif-deposit CGI script.	2310002.cif