Crystallography Open Database

Information card for entry 1540595

Preview

Coordinates	1540595.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(S)-4-(4-methoxyphenyl)-4-phenyl-1,2,3-oxathiazolidine 2,2-dioxide
Formula	C15 H15 N O4 S
Calculated formula	C15 H15 N O4 S
SMILES	[C@]1(c2ccc(cc2)OC)(c2ccccc2)COS(=O)(=O)N1
Title of publication	Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.
Authors of publication	Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	5520 - 5523
a	8.1024 ± 0.0011 Å
b	11.3536 ± 0.0015 Å
c	14.828 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1364 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.022
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170744 (current)	2015-12-06	cif/ Adding structures of 1540595 via cif-deposit CGI script.	1540595.cif