Crystallography Open Database

Information card for entry 4114418

Preview

Coordinates	4114418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H63 Lu N2 O2 Si4
Calculated formula	C29 H63 Lu N2 O2 Si4
SMILES	[Lu]1(C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)N2[C@H](COC2=CC2=[N]1[C@H](CO2)C(C)(C)C)C(C)(C)C
Title of publication	C2-Symmetric Bis(oxazolinato)lanthanide Catalysts for Enantioselective Intramolecular Hydroamination/Cyclization
Authors of publication	Sukwon Hong; Shun Tian; Matthew V. Metz; Tobin J. Marks
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14768 - 14783
a	11.7693 ± 0.0009 Å
b	17.6598 ± 0.0014 Å
c	18.4591 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3836.6 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0428
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
178915 (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 4/11/44.	4114418.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114418.cif
67739	2012-10-03	cif/ Adding structures of 4114418 via cif-deposit CGI script.	4114418.cif