Crystallography Open Database

Information card for entry 1556578

Preview

Coordinates	1556578.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-glycine
Formula	C2 H5 N O2
Calculated formula	C2 H5 N O2
SMILES	[NH3+]CC(=O)[O-]
Title of publication	Polymorph evolution during crystal growth studied by 3D electron diffraction
Authors of publication	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon
Journal of publication	IUCrJ
Year of publication	2020
Journal volume	7
Journal issue	1
Pages of publication	5 - 9
a	5.311 ± 0.0011 Å
b	6.454 ± 0.0013 Å
c	5.694 ± 0.0011 Å
α	90°
β	112.86 ± 0.03°
γ	90°
Cell volume	179.84 ± 0.07 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1379
Residual factor for significantly intense reflections	0.1276
Weighted residual factors for significantly intense reflections	0.2894
Weighted residual factors for all reflections included in the refinement	0.2964
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247895 (current)	2020-02-05	cif/ Updating files of 1556577, 1556578, 1556579 Original log message: Adding full bibliography for 1556577--1556579.cif.	1556578.cif
245192	2019-12-14	cif/ Adding structures of 1556577, 1556578, 1556579 via cif-deposit CGI script.	1556578.cif