Crystallography Open Database

Information card for entry 1507563

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Structure parameters

Formula	C14 H20 O2
Calculated formula	C14 H20 O2
SMILES	[C@H]1([C@H](C(=O)C[C@@H](C1)O)C)/C=C/C=C/C=C/C
Title of publication	Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.
Authors of publication	Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.
Journal of publication	Journal of natural products
Year of publication	2012
Journal volume	75
Journal issue	4
Pages of publication	707 - 715
a	7.274 ± 0.008 Å
b	5.066 ± 0.006 Å
c	17.43 ± 0.02 Å
α	90°
β	98.53 ± 0.03°
γ	90°
Cell volume	635.2 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507563.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507563.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507563.cif
57520	2012-05-18	cif/ Adding structures of 1507563 via cif-deposit CGI script.	1507563.cif