Crystallography Open Database

Information card for entry 4070827

Preview

Coordinates	4070827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H70 N7 Si2 Sm
Calculated formula	C67 H70 N7 Si2 Sm
Title of publication	Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl
Authors of publication	Zi, Guofu; Xiang, Li; Song, Haibin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1242
a	11.515 ± 0.002 Å
b	21.46 ± 0.004 Å
c	24.2 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5980 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0345
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070827.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070827.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070827.cif
42728	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070826, 4070827, 4070828, 4070829 via cif-deposit CGI script.	4070827.cif