Crystallography Open Database

Information card for entry 4116436

Preview

Coordinates	4116436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Cl2 N O3
Calculated formula	C19 H23 Cl2 N O3
Title of publication	Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton
Authors of publication	John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	6326 - 6327
a	35.29 ± 0.01 Å
b	8.897 ± 0.009 Å
c	11.656 ± 0.008 Å
α	90°
β	103.03 ± 0.05°
γ	90°
Cell volume	3565 ± 5 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0525
Goodness-of-fit parameter for significantly intense reflections	1.501
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116436.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116436.cif
71437	2013-01-20	cif/ Adding structures of 4116436 via cif-deposit CGI script.	4116436.cif