Crystallography Open Database

Information card for entry 7125315

Preview

Coordinates	7125315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H62 B2 F2 N4
Calculated formula	C42 H62 B2 F2 N4
Title of publication	Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.
Authors of publication	Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	89
Pages of publication	12132 - 12135
a	9.595 ± 0.004 Å
b	24.297 ± 0.01 Å
c	16.928 ± 0.011 Å
α	90°
β	106.09 ± 0.02°
γ	90°
Cell volume	3792 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235599 (current)	2019-11-23	cif/ Adding structures of 7125314, 7125315, 7125316, 7125317 via cif-deposit CGI script.	7125315.cif