Crystallography Open Database

Information card for entry 1571079

Preview

Coordinates	1571079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C195 H203 B2 F48 N8 O8 P4
Calculated formula	C195 H203 B2 F48 N8 O8 P4
Title of publication	Sequential radical and cationic reactivity at separated sites within one molecule in solution.
Authors of publication	Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5376 - 5384
a	14.7749 ± 0.0002 Å
b	16.5982 ± 0.0002 Å
c	20.9941 ± 0.0002 Å
α	72.259 ± 0.001°
β	77.193 ± 0.001°
γ	89.943 ± 0.001°
Cell volume	4769.4 ± 0.1 Å³
Cell temperature	103 ± 5 K
Ambient diffraction temperature	103 ± 5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291575 (current)	2024-05-05	cif/ Updating files of 1571075, 1571076, 1571077, 1571078, 1571079, 1571080, 1571081, 1571082 Original log message: Adding full bibliography for 1571075--1571082.cif.	1571079.cif
290019	2024-03-02	cif/ Adding structures of 1571075, 1571076, 1571077, 1571078, 1571079, 1571080, 1571081, 1571082 via cif-deposit CGI script.	1571079.cif