Crystallography Open Database

Information card for entry 1517890

Preview

Coordinates	1517890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 N0 O3
Calculated formula	C15 H24 O3
SMILES	O=C1C[C@](O)([C@@H]2[C@](O)(CC1=C(C)C)[C@@H](C)CC2)C
Title of publication	iNOS Inhibitory Activity of Sesquiterpenoids and a Monoterpenoid from the Rhizomes of Curcuma wenyujin.
Authors of publication	Yin, Guo-Ping; Li, Liang-Chun; Zhang, Qing-Zhe; An, Yue-Wei; Zhu, Jing-Jing; Wang, Zhi-Min; Chou, Gui-Xin; Wang, Zheng-Tao
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	10
Pages of publication	2161 - 2169
a	10.369 ± 0.007 Å
b	5.883 ± 0.009 Å
c	12.35 ± 0.008 Å
α	90°
β	102.52 ± 0.01°
γ	90°
Cell volume	735.4 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1517890.cif
127119	2014-11-12	cif/ Updating files of 1517890 Original log message: Adding full bibliography for 1517890.cif.	1517890.cif
124517	2014-10-03	cif/ Adding structures of 1517890 via cif-deposit CGI script.	1517890.cif