Crystallography Open Database

Information card for entry 1555176

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Structure parameters

Chemical name	Epicorpenoid A
Formula	C18 H26 O6
Calculated formula	C18 H26 O6
SMILES	O1[C@@]23[C@@H](O)[C@@H]4CC(C)(C)C[C@@H]4[C@@]4([C@H]3[C@@](O[C@@H]2C[C@@H]1C(=O)O)(O)C4)C
Title of publication	Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.
Authors of publication	Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	23
Pages of publication	3847
a	20.3875 ± 0.0007 Å
b	20.3875 ± 0.0007 Å
c	7.4174 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2669.99 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
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.	1555176.cif
238369	2019-11-24	cif/ Adding structures of 1555176 via cif-deposit CGI script.	1555176.cif