Crystallography Open Database

Information card for entry 1557138

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Structure parameters

Formula	C19 H30 O3
Calculated formula	C19 H30 O3
SMILES	O[C@]1([C@@H]2CC(=O)C3=C(CC[C@](CCO)(C3)C)[C@@]2(C)CCC1)C
Title of publication	Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.
Authors of publication	Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai
Journal of publication	Journal of natural products
Year of publication	2020
a	8.4484 ± 0.0002 Å
b	22.6578 ± 0.0004 Å
c	17.8169 ± 0.0003 Å
α	90°
β	90.006 ± 0.001°
γ	90°
Cell volume	3410.55 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1557138.cif
247156	2020-01-24	cif/ Adding structures of 1557138 via cif-deposit CGI script.	1557138.cif