Crystallography Open Database

Information card for entry 1540526

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Structure parameters

Formula	C17 H24 O5
Calculated formula	C17 H24 O5
SMILES	O1C2=C(C(=O)[C@](O)(CO)C[C@@H]2O)C[C@@H]2[C@]1(CC[C@H]2C(=C)C)C
Title of publication	Synergistic Antifungal Meroterpenes and Dioxolanone Derivatives from the Endophytic Fungus Guignardia sp.
Authors of publication	Li, Tian-Xiao; Yang, Ming-Hua; Wang, Xiao-Bing; Wang, Ying; Kong, Ling-Yi
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	11
Pages of publication	2511 - 2520
a	7.2341 ± 0.0001 Å
b	12.0603 ± 0.0002 Å
c	19.2403 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1678.63 ± 0.04 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0392
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 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.	1540526.cif
170803	2015-12-06	cif/ Updating files of 1540526 Original log message: Adding full bibliography for 1540526.cif.	1540526.cif
170273	2015-11-14	cif/ Adding structures of 1540526 via cif-deposit CGI script.	1540526.cif