Crystallography Open Database

Information card for entry 1564387

Preview

Coordinates	1564387.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4aa
Chemical name	(E)-3-(hex-2-en-1-yl)-4,5-diphenyl-3H-1,2,3-oxathiazole 2,2-dioxide
Formula	C20 H21 N O3 S
Calculated formula	C20 H21 N O3 S
Title of publication	The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines
Authors of publication	Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.
Journal of publication	Chemical Science
Year of publication	2021
a	8.4602 ± 0.0002 Å
b	10.8079 ± 0.0003 Å
c	19.9865 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1827.51 ± 0.08 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
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	0.0481
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268164 (current)	2021-08-22	cif/ Adding structures of 1564386, 1564387, 1564388, 1564389, 1564390 via cif-deposit CGI script.	1564387.cif