Crystallography Open Database

Information card for entry 7058205

Preview

Coordinates	7058205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H118 Cl2 Cu2 O4 P2
Calculated formula	C74 H100 Cl2 Cu2 O4 P2
Title of publication	Enantioselective Cu-catalyzed 1,4-additions of organozinc and Grignard reagents to enones: exceptional performance of the hydrido-phosphite-ligand BIFOP-H
Authors of publication	Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4787
a	15.1193 ± 0.0016 Å
b	31.626 ± 0.004 Å
c	15.4815 ± 0.0017 Å
α	90°
β	90.221 ± 0.005°
γ	90°
Cell volume	7402.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224992 (current)	2019-11-08	cif/ Updating files of 7058205 Original log message: Adding full bibliography for 7058205.cif.	7058205.cif
213848	2019-02-26	cif/ Adding structures of 7058205 via cif-deposit CGI script.	7058205.cif