Crystallography Open Database

Information card for entry 1543676

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Structure parameters

Formula	C15 H20 O4
Calculated formula	C15 H20 O4
SMILES	C12=C[C@]3([C@@](C[C@@]1([C@@H](C(=O)C=C2)C)C)(OC[C@@H]3C)O)O
Title of publication	Eremophilane Sesquiterpenes from an Endophytic FungusPericoniaSpecies
Authors of publication	Liu, Jimei; Zhang, Dewu; Zhang, Min; Zhao, Jinlian; Chen, Ridao; Wang, Nan; Zhang, Dan; Dai, Jungui
Journal of publication	Journal of Natural Products
Year of publication	2016
a	7.416 ± 0.003 Å
b	10.2 ± 0.005 Å
c	18.519 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	1400.8 ± 1.2 Å³
Cell temperature	293 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	0.0406
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543676.cif
184519	2016-07-20	cif/ Adding structures of 1543676 via cif-deposit CGI script.	1543676.cif