Crystallography Open Database

Information card for entry 1516470

Preview

Coordinates	1516470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O4
Calculated formula	C20 H26 O4
SMILES	[C@]12(C)[C@]3([C@]([C@@H]4[C@@H](CC3=O)[C@@H](C(=C)CC4)C=C)(C)CC[C@@H]2OC1=O)O
Title of publication	Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.
Authors of publication	Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	6
Pages of publication	1513 - 1518
a	7.3028 ± 0.0003 Å
b	13.9746 ± 0.0013 Å
c	16.4665 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1680.5 ± 0.2 Å³
Cell temperature	99.8 K
Ambient diffraction temperature	99.8 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	0.035
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1516470.cif
119164	2014-07-05	cif/ Updating files of 1516470, 1516471 Original log message: Adding full bibliography for 1516470--1516471.cif.	1516470.cif
115376	2014-06-03	cif/ Adding structures of 1516470 via cif-deposit CGI script.	1516470.cif