Crystallography Open Database

Information card for entry 5000033

Preview

Coordinates	5000033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 O2
Calculated formula	C13 H18 O2
Title of publication	Crystal morphology of ibuprofen predicted from single-crystal pulsed neutron diffraction data
Authors of publication	Shankland, Norman; Florence, Alastair J.; Cox, Philip J.; Sheen, David B.; Love, Steve W.; Stewart, Neil S.; Wilson, Chick C.
Journal of publication	Chemical Communications
Year of publication	1996
Journal issue	7
Pages of publication	855 - 856
a	14.397 ± 0.008 Å
b	7.818 ± 0.004 Å
c	10.506 ± 0.006 Å
α	90°
β	99.7 ± 0.03°
γ	90°
Cell volume	1165.6 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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