Crystallography Open Database

Information card for entry 4024717

Preview

Coordinates	4024717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H53 Al N O4 P
Calculated formula	C40 H53 Al N O4 P
SMILES	[Al]123([N](Cc4c(c(cc(c4)C)C)O1)(Cc1c(c(cc(c1)C)C)O2)Cc1c(c(cc(c1)C)C)O3)[O]=P(CC)(CC)CC.Cc1ccccc1
Title of publication	Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid
Authors of publication	Steven M. Raders; John G. Verkade
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5417 - 5428
a	11.159 ± 0.004 Å
b	15.333 ± 0.006 Å
c	21.909 ± 0.008 Å
α	80.131 ± 0.006°
β	89.476 ± 0.007°
γ	85.057 ± 0.007°
Cell volume	3679 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.137
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.2244
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4024717.html