Crystallography Open Database

Information card for entry 7022040

7022039 << 7022040 >> 7022041

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Coordinates	7022040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Li2 N2 O2 Si2
Calculated formula	C40 H58 Li2 N2 O2 Si2
SMILES	[Si]([N]12[C]34=[C]([C]5=[C]([N]6([Si](C(C)(C)C)(C)C)[Li]13[O]1CCCC1)([Li]26[O]1CCCC1)C=Cc1c5cccc1)c1c(C=C4)cccc1)(C(C)(C)C)(C)C
Title of publication	LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.
Authors of publication	Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	2
Pages of publication	507 - 520
a	11.4765 ± 0.0002 Å
b	11.4765 ± 0.0002 Å
c	26.9628 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3075.49 ± 0.11 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022040.cif
89950	2013-11-17	cif/ Adding structures of 7022036, 7022037, 7022038, 7022039, 7022040 via cif-deposit CGI script.	7022040.cif