Crystallography Open Database

Information card for entry 1508275

Preview

Structure parameters

Formula	C17 H18 O7
Calculated formula	C17 H18 O7
SMILES	C1(=O)[C@@H](C[C@]2(c3cc(c(c(c3C(=O)C=C2OC)O)CC)OC)O1)O
Title of publication	Naphthalenones from a Perenniporia sp. Inhabiting the Larva of a Phytophagous Weevil, Euops chinesis.
Authors of publication	Feng, Yu; Wang, Lin; Niu, Shubin; Li, Li; Si, Yikang; Liu, Xingzhong; Che, Yongsheng
Journal of publication	Journal of natural products
Year of publication	2012
Journal volume	75
Journal issue	7
Pages of publication	1339 - 1345
a	6.234 ± 0.0012 Å
b	11.064 ± 0.002 Å
c	22.677 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1564.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0765
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	0.517
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508275.cif
176729	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.	1508275.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508275.cif
66263	2012-09-09	cif/ Adding structures of 1508275 via cif-deposit CGI script.	1508275.cif