Crystallography Open Database

Information card for entry 1557140

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Structure parameters

Formula	C19 H30 O2
Calculated formula	C19 H30 O2
SMILES	O[C@]1(CCC[C@]2([C@H]1CC=C1[C@@H]3[C@@](CC[C@H]21)(C)CCO3)C)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	21.2462 ± 0.0012 Å
b	8.9711 ± 0.0005 Å
c	8.8437 ± 0.0005 Å
α	90°
β	98.376 ± 0.001°
γ	90°
Cell volume	1667.65 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1557140.cif
247158	2020-01-24	cif/ Adding structures of 1557140 via cif-deposit CGI script.	1557140.cif