Crystallography Open Database

Information card for entry 4514293

Preview

Coordinates	4514293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 N4 Zn
Calculated formula	C46 H48 N4 Zn
Title of publication	Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles
Authors of publication	Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	12
Pages of publication	8454
a	12.1191 ± 0.0018 Å
b	13.987 ± 0.002 Å
c	14.338 ± 0.002 Å
α	66.838 ± 0.002°
β	73.267 ± 0.002°
γ	64.731 ± 0.002°
Cell volume	1999.6 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
203979 (current)	2017-12-05	cif/ Updating files of 4514293 Original log message: Adding full bibliography for 4514293.cif.	4514293.cif
203179	2017-11-15	cif/ Adding structures of 4514293 via cif-deposit CGI script.	4514293.cif