Crystallography Open Database

Information card for entry 7239830

Preview

Coordinates	7239830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H47 N3 O9
Calculated formula	C36 H47 N3 O9
Title of publication	Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells
Authors of publication	Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	7
Pages of publication	3872 - 3881
a	10.8304 ± 0.0003 Å
b	15.9589 ± 0.0004 Å
c	21.2922 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3680.17 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
258090 (current)	2020-10-06	cif/ Updating files of 7239829, 7239830 Original log message: Adding full bibliography for 7239829--7239830.cif.	7239830.cif
247183	2020-01-24	cif/ Adding structures of 7239829, 7239830 via cif-deposit CGI script.	7239830.cif