Crystallography Open Database

Information card for entry 1562339

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Coordinates	1562339.cif
Original paper (by DOI)	HTML

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

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