Crystallography Open Database

Information card for entry 1546223

Preview

Coordinates	1546223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl2 O
Calculated formula	C26 H20 Cl2 O
SMILES	Clc1ccc(C2=C3C(=O)CCC[C@H]3[C@H](c3ccccc23)c2ccccc2)c(Cl)c1
Title of publication	Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.
Authors of publication	Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	9
Pages of publication	2322 - 2325
a	10.6637 ± 0.0014 Å
b	10.7733 ± 0.0014 Å
c	18.111 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2080.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
197368 (current)	2017-06-05	cif/ Adding structures of 1546223 via cif-deposit CGI script.	1546223.cif