Crystallography Open Database

Information card for entry 1529349

Preview

Coordinates	1529349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H62 Cl2 Cu2 O6 P2 S2
Calculated formula	C36 H62 Cl2 Cu2 O6 P2 S2
SMILES	c12c(c(c(cc1)OC)OC)[P](C(C)C)(C(C)C)[Cu]1([Cl][Cu]3([Cl]1)[P](c1c(ccc(c1OC)OC)[S@@]3(C(C)(C)C)=O)(C(C)C)C(C)C)[S@]2(C(C)(C)C)=O
Title of publication	Copper(I)-Catalyzed Asymmetric Pinacolboryl Addition of N-Boc-imines Using a Chiral Sulfoxide-Phosphine Ligand.
Authors of publication	Wang, Ding; Cao, Peng; Wang, Bing; Jia, Tao; Lou, Yazhou; Wang, Min; Liao, Jian
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2420 - 2423
a	10.6416 ± 0.0003 Å
b	13.3076 ± 0.0006 Å
c	17.3445 ± 0.0005 Å
α	90°
β	92.328 ± 0.002°
γ	90°
Cell volume	2454.2 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1529349.cif
152781	2015-08-05	cif/ Adding structures of 1529349 via cif-deposit CGI script.	1529349.cif