Crystallography Open Database

Information card for entry 1501799

Preview

Coordinates	1501799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 O9
Calculated formula	C28 H38 O9
SMILES	O1C2=CC(=O)[C@](O)([C@H]3[C@]2(C[C@H]1C(O)(C)C)[C@@H]1C(=O)[C@](O)([C@H]3C2=C1OC([C@H](O)C2)(C)C)CC=C)CC=C.O
Title of publication	Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.
Authors of publication	Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing
Journal of publication	Journal of natural products
Year of publication	2011
Journal volume	74
Journal issue	5
Pages of publication	1268 - 1271
a	9.393 ± 0.001 Å
b	14.905 ± 0.001 Å
c	19.192 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2686.9 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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 all reflections	0.0484
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
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.	1501799.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501799.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501799.cif
35153	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501799 via cif-deposit CGI script.	1501799.cif