Crystallography Open Database

Information card for entry 7125317

Preview

Coordinates	7125317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 B2 Cl2 N2
Calculated formula	C30 H42 B2 Cl2 N2
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	12.362 ± 0.003 Å
b	12.362 ± 0.003 Å
c	38.073 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	5818 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7125317.cif