Crystallography Open Database

Information card for entry 1571078

Preview

Coordinates	1571078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H102 B F24 N4 O2 P2
Calculated formula	C101 H102 B F23.9994 N4 O2 P2
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	12.9969 ± 0.0005 Å
b	20.0236 ± 0.0007 Å
c	20.1523 ± 0.0007 Å
α	106.472 ± 0.002°
β	101.18 ± 0.002°
γ	96.412 ± 0.002°
Cell volume	4855.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.1929
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
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.	1571078.cif
290019	2024-03-02	cif/ Adding structures of 1571075, 1571076, 1571077, 1571078, 1571079, 1571080, 1571081, 1571082 via cif-deposit CGI script.	1571078.cif