Crystallography Open Database

Information card for entry 4107872

Preview

Coordinates	4107872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H76 Li3 O11 Pr
Calculated formula	C80 H76 Li3 O11 Pr
Title of publication	Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis
Authors of publication	Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7407 - 7419
a	18.2837 ± 0.0013 Å
b	11.4684 ± 0.0008 Å
c	19.0027 ± 0.0014 Å
α	90°
β	100.562 ± 0.002°
γ	90°
Cell volume	3917.1 ± 0.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107872.html