Crystallography Open Database

Information card for entry 4504971

Preview

Coordinates	4504971.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Gamma glycine
Formula	C2 H5 N O2
Calculated formula	C2 H5 N O2
SMILES	[O-]C(=O)C[NH3+]
Title of publication	Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine
Authors of publication	Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	4
Pages of publication	1415
a	6.9332 ± 0.0006 Å
b	6.9332 ± 0.0006 Å
c	5.4552 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	227.1 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	1 kPa
Number of distinct elements	4
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for all reflections	0.1935
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1935
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504971.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504971.cif
50085	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504969, 4504970, 4504971, 4504972, 4504973, 4504974 via cif-deposit CGI script.	4504971.cif