Crystallography Open Database

Information card for entry 4109025

Preview

Coordinates	4109025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O3
Calculated formula	C20 H22 O3
SMILES	c12ccccc1ccc1c2CC[C@](C1=O)(C)[C@H](C)CC(=O)OC.c12ccccc1ccc1c2CC[C@@](C1=O)(C)[C@@H](C)CC(=O)OC
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	7.273 ± 0.015 Å
b	10.13 ± 0.02 Å
c	11.76 ± 0.02 Å
α	82.93 ± 0.04°
β	82.72 ± 0.04°
γ	71.26 ± 0.03°
Cell volume	811 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
178836 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90.	4109025.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109025.cif
57776	2012-05-21	cif/ Adding structures of 4109025 via cif-deposit CGI script.	4109025.cif