Crystallography Open Database

Information card for entry 4117410

Preview

Coordinates	4117410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 N4 O7
Calculated formula	C21 H32 N4 O7
Title of publication	A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines
Authors of publication	Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	2012 - 2015
a	7.9857 ± 0.0008 Å
b	18.137 ± 0.0019 Å
c	15.7831 ± 0.0015 Å
α	90°
β	90.74 ± 0.004°
γ	90°
Cell volume	2285.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178945 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/74.	4117410.cif
74487	2013-02-27	cif/ Adding structures of 4117410 via cif-deposit CGI script.	4117410.cif