Crystallography Open Database

Information card for entry 1502833

Preview

Coordinates	1502833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 O13
Calculated formula	C23 H28 O13
SMILES	O1[C@@H]([C@@H](O)C(=O)c2c(O)cc(OC)c(c12)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1cc(O)c(O)cc1.OC
Title of publication	Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides.
Authors of publication	Shimokawa, Yoko; Akao, Yusuke; Hirasawa, Yusuke; Awang, Khalijah; Hadi, A Hamid A; Sato, Seizo; Aoyama, Chihiro; Takeo, Jiro; Shiro, Motoo; Morita, Hiroshi
Journal of publication	Journal of natural products
Year of publication	2010
Journal volume	73
Journal issue	4
Pages of publication	763 - 767
a	9.31894 ± 0.00017 Å
b	11.1351 ± 0.0002 Å
c	22.591 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2344.21 ± 0.09 Å³
Cell temperature	93.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502833.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502833.cif
36792	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502833 via cif-deposit CGI script.	1502833.cif