Crystallography Open Database

Information card for entry 4105480

Preview

Coordinates	4105480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O2 S
Calculated formula	C17 H19 N O2 S
SMILES	S(=O)(=O)(NC[C@]1(C[C@@H]1c1ccccc1)c1ccccc1)C
Title of publication	Rhodium-Catalyzed Enantioselective Cyclopropanation of Olefins with N-Sulfonyl 1,2,3-Triazoles
Authors of publication	Stepan Chuprakov; Sen Wai Kwok; Li Zhang; Lukas Lercher; Valery V. Fokin
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	18034 - 18035
a	5.4264 ± 0.0005 Å
b	8.6712 ± 0.0007 Å
c	32.044 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1507.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0278
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178800 (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 4/10/54.	4105480.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105480.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105480.cif
30676	2011-11-14	../uploads/cif-deposit/cod/cif Adding structures of 4105480 via cif-deposit CGI script.	4105480.cif