Crystallography Open Database

Information card for entry 4102236

Preview

Coordinates	4102236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 N O3
Calculated formula	C23 H29 N O3
Title of publication	Enantioselective Polyene Cyclization via Organo-SOMO Catalysis
Authors of publication	Sebastian Rendler; David W. C. MacMillan
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5027 - 5029
a	13.0078 ± 0.0003 Å
b	6.8941 ± 0.0002 Å
c	21.3275 ± 0.0006 Å
α	90°
β	91.374 ± 0.002°
γ	90°
Cell volume	1912.04 ± 0.09 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178768 (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 4/10/22.	4102236.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102236.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102236.cif
25094	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102236 via cif-deposit CGI script.	4102236.cif