Crystallography Open Database

Information card for entry 1542905

Preview

Coordinates	1542905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 O7
Calculated formula	C27 H44 O7
SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)C[C@H](O)[C@@H]([C@@]12OC2=C(C(=O)[C@H]([C@@H]([C@]2(C1)C)C)C(=O)OC)C)C)C.OC
Title of publication	Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.
Authors of publication	Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2016
Journal volume	79
Journal issue	4
Pages of publication	806 - 811
a	11.5247 ± 0.0006 Å
b	12.6097 ± 0.0006 Å
c	18.36 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2668.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0742
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183584 (current)	2016-06-17	cif/ Updating files of 1542905, 1542906, 1542907, 1542908 Original log message: Adding full bibliography for 1542905--1542908.cif.	1542905.cif
178366	2016-03-20	cif/ Adding structures of 1542905 via cif-deposit CGI script.	1542905.cif