Crystallography Open Database

Information card for entry 1558879

Preview

Coordinates	1558879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O4
Calculated formula	C20 H32 O4
SMILES	[C@@]1(CCC[C@]2([C@@]1(O)CC[C@]13[C@@H]2C[C@H](CC1)[C@](O)(C)C3)C)(C)C(=O)O
Title of publication	Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.
Authors of publication	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	8
Pages of publication	2528 - 2536
a	12.7945 ± 0.0018 Å
b	26.092 ± 0.004 Å
c	11.4869 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3834.7 ± 1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
255872 (current)	2020-09-04	cif/ Updating files of 1558879, 1558880, 1558881, 1558882, 1558883, 1558884 Original log message: Adding full bibliography for 1558879--1558884.cif.	1558879.cif
255485	2020-08-21	cif/ Adding structures of 1558879 via cif-deposit CGI script.	1558879.cif