Crystallography Open Database

Information card for entry 7160148

Preview

Coordinates	7160148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 F2 O6
Calculated formula	C46 H46 F2 O6
Title of publication	Design strategy and preliminary antiproliferative investigation of a modified lignan skeleton derived from aryne and statin.
Authors of publication	Lei, Yu; Wen, Yinshan; Xu, Xiaoliang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	41
Pages of publication	8263 - 8267
a	12.1596 ± 0.0008 Å
b	12.2452 ± 0.0008 Å
c	27.3069 ± 0.0018 Å
α	90°
β	95.673 ± 0.001°
γ	90°
Cell volume	4046 ± 0.5 Å³
Cell temperature	293.15 ± 0.1 K
Ambient diffraction temperature	293.15 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296664 (current)	2024-12-06	cif/ Updating files of 7160148 Original log message: Adding full bibliography for 7160148.cif.	7160148.cif
294862	2024-09-24	cif/ Adding structures of 7160148 via cif-deposit CGI script.	7160148.cif