Crystallography Open Database

Information card for entry 4038067

Preview

Coordinates	4038067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 O13
Calculated formula	C20 H23 O13
Title of publication	Fungal Polyketides with Three Distinctive Ring Skeletons from the Fungus <i>Penicillium canescens</i> Uncovered by OSMAC and Molecular Networking Strategies.
Authors of publication	Zang, Yi; Gong, Yihua; Gong, Jiaojiao; Liu, Junjun; Chen, Chunmei; Gu, Lianghu; Zhou, Yuan; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	7
Pages of publication	4973 - 4980
a	31.4966 ± 0.0006 Å
b	12.8222 ± 0.0003 Å
c	12.3149 ± 0.0003 Å
α	90°
β	109.069 ± 0.001°
γ	90°
Cell volume	4700.53 ± 0.18 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250114 (current)	2020-04-04	cif/ Updating files of 4038066, 4038067 Original log message: Adding full bibliography for 4038066--4038067.cif.	4038067.cif
249419	2020-03-17	cif/ Adding structures of 4038067 via cif-deposit CGI script.	4038067.cif