Crystallography Open Database

Information card for entry 1555187

Preview

Coordinates	1555187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Cl2 N O2 S
Calculated formula	C19 H21 Cl2 N O2 S
SMILES	S(N[C@@H](C(Cl)(Cl)C(=O)c1ccccc1)c1ccccc1)(=O)C(C)(C)C
Title of publication	Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.
Authors of publication	Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	4042 - 4045
a	6.1472 ± 0.0015 Å
b	11.724 ± 0.003 Å
c	27.834 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2006 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0396
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
238376 (current)	2019-11-24	cif/ Adding structures of 1555187 via cif-deposit CGI script.	1555187.cif