Crystallography Open Database

Information card for entry 1561440

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Structure parameters

Formula	C38 H48 O4
Calculated formula	C38 H48 O4
Title of publication	Diverse Polycyclic Polyprenylated Acylphloroglucinol Congeners with Anti-Nonalcoholic Steatohepatitis Activity from <i>Hypericum forrestii</i>.
Authors of publication	Lu, Wei-Jia; Xu, Wen-Jun; Zhang, Mei-Hui; Zhang, Yan-Qiu; Li, Yi-Ran; Zhang, Hao; Luo, Jun; Kong, Ling-Yi
Journal of publication	Journal of natural products
Year of publication	2021
a	12.3525 ± 0.0002 Å
b	12.3525 ± 0.0002 Å
c	79.6448 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	10524.4 ± 0.3 Å³
Cell temperature	143 K
Ambient diffraction temperature	143.15 K
Number of distinct elements	3
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1561440.cif
263535	2021-04-02	cif/ Adding structures of 1561440 via cif-deposit CGI script.	1561440.cif