Crystallography Open Database

Information card for entry 4084813

Preview

Coordinates	4084813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H53 Cu N2 O Si
Calculated formula	C39 H53 Cu N2 O Si
Title of publication	CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates
Authors of publication	Plotzitzka, Jacqueline; Kleeberg, Christian
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6915
a	37.256 ± 0.003 Å
b	14.965 ± 0.0009 Å
c	16.367 ± 0.0013 Å
α	90°
β	104.354 ± 0.008°
γ	90°
Cell volume	8840.3 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178737 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48.	4084813.cif
131483	2015-02-08	cif/ Updating files of 4084808, 4084809, 4084810, 4084811, 4084812, 4084813 Original log message: Adding full bibliography for 4084808--4084813.cif.	4084813.cif
127747	2014-11-21	cif/ Adding structures of 4084808, 4084809, 4084810, 4084811, 4084812, 4084813 via cif-deposit CGI script.	4084813.cif