Crystallography Open Database

Information card for entry 1503706

Preview

Coordinates	1503706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.667 H35.667 N O10.667
Calculated formula	C27.65 H29 N O10.65
SMILES	O1c2c(C(=O)C=C1C)c(O)cc(O)c2[C@@H]1[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)CN(CC1)C.CO.CO
Title of publication	Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.
Authors of publication	Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi
Journal of publication	Journal of natural products
Year of publication	2009
Journal volume	72
Journal issue	10
Pages of publication	1879 - 1883
a	19.2969 ± 0.0004 Å
b	19.2969 ± 0.0004 Å
c	19.1134 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	6163.7 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1503706.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503706.cif
39005	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503706 via cif-deposit CGI script.	1503706.cif