Crystallography Open Database

Information card for entry 4116103

Preview

Coordinates	4116103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 B Cl8 Cu F4 N4
Calculated formula	C34 H26 B Cl8 Cu F4 N4
Title of publication	Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines
Authors of publication	Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7132 - 7133
a	13.2095 ± 0.0005 Å
b	23.9347 ± 0.0005 Å
c	25.5398 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8074.8 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.264
Weighted residual factors for all reflections included in the refinement	0.2723
Goodness-of-fit parameter for all reflections included in the refinement	2.131
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116103.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116103.cif
70681	2013-01-03	cif/ Adding structures of 4116103 via cif-deposit CGI script.	4116103.cif