Crystallography Open Database

Information card for entry 7158359

Preview

Coordinates	7158359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 O13
Calculated formula	C40 H44 O13
Title of publication	Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.
Authors of publication	Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	44
Pages of publication	9637 - 9640
a	10.2285 ± 0.0003 Å
b	10.2285 ± 0.0003 Å
c	31.7311 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3319.78 ± 0.17 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
271213 (current)	2021-12-07	cif/ Updating files of 7158359 Original log message: Adding full bibliography for 7158359.cif.	7158359.cif
270144	2021-10-29	cif/ Adding structures of 7158359 via cif-deposit CGI script.	7158359.cif