Crystallography Open Database

Information card for entry 1518733

Preview

Coordinates	1518733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O7
Calculated formula	C20 H22 O7
SMILES	C(=O)(c1c(c(c(cc1O)C)OC)COC(=O)C)c1c(cccc1OC)OC
Title of publication	Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015.
Authors of publication	Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	3
Pages of publication	363 - 367
a	28.5983 ± 0.0012 Å
b	8.3343 ± 0.0004 Å
c	7.7428 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1845.47 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	1518733.cif
134822	2015-04-04	cif/ Updating files of 1518733 Original log message: Adding full bibliography for 1518733.cif.	1518733.cif
131962	2015-02-18	cif/ Adding structures of 1518733 via cif-deposit CGI script.	1518733.cif