Crystallography Open Database

Information card for entry 2310004

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Structure parameters

Common name	D,L-Serine
Chemical name	(±) 2-Amino-3-hydroxypropionic acid
Formula	C3 H7 N O3
Calculated formula	C3 H7 N O3
SMILES	C(=O)(C(CO)[NH3+])[O-]
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	10.7621 ± 0.001 Å
b	9.1771 ± 0.0009 Å
c	4.7883 ± 0.0005 Å
α	90°
β	106.76 ± 0.02°
γ	90°
Cell volume	452.83 ± 0.09 Å³
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.021
Weighted residual factors for all reflections included in the refinement	0.022
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2310004.cif
176809	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2310004.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2310004.cif
71210	2013-01-18	cif/ Adding structures of 2310002, 2310003, 2310004, 2310005 via cif-deposit CGI script.	2310004.cif