Crystallography Open Database

Information card for entry 7159912

Preview

Coordinates	7159912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 B N
Calculated formula	C9 H18 B N
SMILES	[NH3][B](CC=C)(CC=C)CC=C
Title of publication	Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.
Authors of publication	Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	23
Pages of publication	4680 - 4696
a	10.5689 ± 0.0015 Å
b	10.5689 ± 0.0015 Å
c	8.3975 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	812.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	0.871
Diffraction radiation wavelength	0.9699 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293275 (current)	2024-07-05	cif/ Updating files of 7159912, 7159913, 7159914, 7159915, 7159916 Original log message: Adding full bibliography for 7159912--7159916.cif.	7159912.cif
291331	2024-04-23	cif/ Adding structures of 7159912, 7159913, 7159914, 7159915, 7159916 via cif-deposit CGI script.	7159912.cif