Crystallography Open Database

Information card for entry 2300212

Preview

Coordinates	2300212.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ibuprofen
Formula	C13 H18 O2
Calculated formula	C13 H18 O2
SMILES	c1(ccc(cc1)CC(C)C)C(C)C(=O)O
Title of publication	Implementation and use of robust refinement in powder diffraction in the presence of impurities
Authors of publication	Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Journal of publication	Journal of Applied Crystallography
Year of publication	2009
Journal volume	42
Journal issue	3
Pages of publication	385 - 391
a	14.6696 ± 0.0007 Å
b	7.889 ± 0.0003 Å
c	10.7287 ± 0.0003 Å
α	90°
β	99.427 ± 0.002°
γ	90°
Cell volume	1224.85 ± 0.08 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.698291 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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