Crystallography Open Database

Information card for entry 1558884

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Structure parameters

Formula	C21 H32 O5
Calculated formula	C21 H32 O5
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	9.4565 ± 0.0005 Å
b	9.5803 ± 0.0007 Å
c	22.189 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2010.2 ± 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	0.0583
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558884.cif
255872	2020-09-04	cif/ Updating files of 1558879, 1558880, 1558881, 1558882, 1558883, 1558884 Original log message: Adding full bibliography for 1558879--1558884.cif.	1558884.cif
255490	2020-08-21	cif/ Adding structures of 1558884 via cif-deposit CGI script.	1558884.cif