Crystallography Open Database

Information card for entry 4109024

Preview

Coordinates	4109024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H43.5 Al Cl6.88 N2 O2
Calculated formula	C49 H43.5 Al Cl6.9015 N2 O2
Title of publication	Asymmetric Conjugate Addition of Silyl Enol Ethers Catalyzed by Tethered Bis(8-quinolinolato) Aluminum Complexes
Authors of publication	Norito Takenaka; Joshua P. Abell; Hisashi Yamamoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	742 - 743
a	20.26 ± 0.02 Å
b	17.919 ± 0.019 Å
c	26.31 ± 0.03 Å
α	90°
β	96.99 ± 0.02°
γ	90°
Cell volume	9481 ± 17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1824
Residual factor for significantly intense reflections	0.1504
Weighted residual factors for significantly intense reflections	0.266
Weighted residual factors for all reflections included in the refinement	0.282
Goodness-of-fit parameter for all reflections included in the refinement	1.349
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109024.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109024.cif
57775	2012-05-21	cif/ Adding structures of 4109024 via cif-deposit CGI script.	4109024.cif