Crystallography Open Database

Information card for entry 7125314

Preview

Coordinates	7125314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 B2 N4 O4
Calculated formula	C54 H66 B2 N4 O4
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	10.924 ± 0.004 Å
b	15.753 ± 0.007 Å
c	27.04 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4653 ± 3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7125314.cif