Crystallography Open Database

Information card for entry 4116434

Preview

Coordinates	4116434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N O4
Calculated formula	C22 H27 N O4
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	10.1123 ± 0.0003 Å
b	12.437 ± 0.001 Å
c	15.961 ± 0.001 Å
α	90°
β	104.98 ± 0.01°
γ	90°
Cell volume	1939.1 ± 0.2 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0648
Goodness-of-fit parameter for significantly intense reflections	2.556
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.	4116434.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116434.cif
71435	2013-01-20	cif/ Adding structures of 4116434 via cif-deposit CGI script.	4116434.cif