Crystallography Open Database

Information card for entry 7126365

Preview

Coordinates	7126365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H58 B2 F3 N4.87
Calculated formula	C52 H58 B2 F3 N4.8662
Title of publication	Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.
Authors of publication	Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	42
Pages of publication	5681 - 5684
a	10.5695 ± 0.0002 Å
b	15.3466 ± 0.0003 Å
c	16.2221 ± 0.0003 Å
α	65.195 ± 0.002°
β	87.805 ± 0.002°
γ	72.0887 ± 0.0019°
Cell volume	2260.22 ± 0.09 Å³
Cell temperature	99.97 ± 0.11 K
Ambient diffraction temperature	99.97 ± 0.11 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
252707 (current)	2020-06-05	cif/ Updating files of 7126363, 7126364, 7126365, 7126366, 7126367 Original log message: Adding full bibliography for 7126363--7126367.cif.	7126365.cif
250740	2020-04-14	cif/ Adding structures of 7126365 via cif-deposit CGI script.	7126365.cif