Crystallography Open Database

Information card for entry 1562339

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Structure parameters

Formula	C40 H52 O11
Calculated formula	C40 H52 O11
Title of publication	Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>.
Authors of publication	Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An
Journal of publication	Journal of natural products
Year of publication	2021
a	10.56998 ± 0.00005 Å
b	10.56998 ± 0.00005 Å
c	56.6723 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	5483.4 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	294.15 K
Number of distinct elements	3
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 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.	1562339.cif
264736	2021-05-01	cif/ Adding structures of 1562339 via cif-deposit CGI script.	1562339.cif