Crystallography Open Database

Information card for entry 4132443

Preview

Coordinates	4132443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H61 Lu N2 O2 Si
Calculated formula	C44 H61 Lu N2 O2 Si
SMILES	[Lu]1([O]2CCCC2)([O]2CCCC2)(N([C@H]([C@@H](N1c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)C[Si](C)(C)C
Title of publication	Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.
Authors of publication	Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7332 - 7342
a	14.6844 ± 0.0014 Å
b	16.2869 ± 0.0016 Å
c	17.6979 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4232.7 ± 0.7 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.0251
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242425 (current)	2019-11-26	cif/ Adding structures of 4132442, 4132443 via cif-deposit CGI script.	4132443.cif