Crystallography Open Database

Information card for entry 1505479

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Structure parameters

Formula	C68 H52 K3 O8 Yb
Calculated formula	C68 H52 K3 O8 Yb
Title of publication	Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.
Authors of publication	Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	17
Pages of publication	3359 - 3362
a	16.3949 ± 0.0002 Å
b	16.3949 ± 0.0002 Å
c	37.937 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	8831 ± 0.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505479.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505479.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505479.cif
45655	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505479 via cif-deposit CGI script.	1505479.cif