Crystallography Open Database

Information card for entry 7159913

Preview

Coordinates	7159913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 B N2
Calculated formula	C15 H27 B N2
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	8.6952 ± 0.0002 Å
b	10.1193 ± 0.0002 Å
c	17.1397 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1508.11 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
293275 (current)	2024-07-05	cif/ Updating files of 7159912, 7159913, 7159914, 7159915, 7159916 Original log message: Adding full bibliography for 7159912--7159916.cif.	7159913.cif
291331	2024-04-23	cif/ Adding structures of 7159912, 7159913, 7159914, 7159915, 7159916 via cif-deposit CGI script.	7159913.cif