Crystallography Open Database

Information card for entry 1571077

Preview

Coordinates	1571077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H107 B F24 N4 O2 P2 S
Calculated formula	C107 H107 B F24 N4 O2 P2 S
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	15.1726 ± 0.0002 Å
b	16.6364 ± 0.0002 Å
c	21.9306 ± 0.0002 Å
α	103.617 ± 0.001°
β	108.01 ± 0.001°
γ	91.825 ± 0.001°
Cell volume	5083.56 ± 0.11 Å³
Cell temperature	149.98 ± 0.1 K
Ambient diffraction temperature	149.98 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2269
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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

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.	1571077.cif
290019	2024-03-02	cif/ Adding structures of 1571075, 1571076, 1571077, 1571078, 1571079, 1571080, 1571081, 1571082 via cif-deposit CGI script.	1571077.cif