Crystallography Open Database

Information card for entry 4501397

Preview

Coordinates	4501397.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	naproxen
Formula	C14 H14 O3
Calculated formula	C14 H14 O3
SMILES	O(c1ccc2cc(ccc2c1)C(C(=O)O)C)C
Title of publication	Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form
Authors of publication	Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5659
a	25.8301 ± 0.0013 Å
b	15.4939 ± 0.0004 Å
c	5.9465 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2379.84 ± 0.16 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Goodness-of-fit parameter for all reflections	2.344
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179544 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13.	4501397.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501397.cif
34885	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501397 via cif-deposit CGI script.	4501397.cif