Crystallography Open Database

Information card for entry 1501804

Preview

Coordinates	1501804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23.5 O5
Calculated formula	C15 H23.5 O5
SMILES	O[C@H]1[C@H]2[C@](O)(CC[C@H]3[C@H]2[C@](O)(C1=C)C(=O)C[C@@H]3C)C.O
Title of publication	Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp.
Authors of publication	Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin
Journal of publication	Journal of natural products
Year of publication	2011
Journal volume	74
Journal issue	2
Pages of publication	296 - 299
a	8.583 ± 0.002 Å
b	9.549 ± 0.003 Å
c	11.107 ± 0.003 Å
α	73.568 ± 0.004°
β	69.697 ± 0.003°
γ	67.017 ± 0.004°
Cell volume	774.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.2028
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
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.	1501804.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501804.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501804.cif
35158	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501804 via cif-deposit CGI script.	1501804.cif