Crystallography Open Database

Information card for entry 4117409

Preview

Coordinates	4117409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Cl N
Calculated formula	C12 H24 Cl N
SMILES	[Cl-].[NH+]12CCC[C@H]1[C@@H](CC[C@H]2C(C)C)C.[Cl-].[NH+]12CCC[C@@H]1[C@H](CC[C@@H]2C(C)C)C
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	10.7584 ± 0.0009 Å
b	7.206 ± 0.0006 Å
c	16.0033 ± 0.0014 Å
α	90°
β	98.264 ± 0.003°
γ	90°
Cell volume	1227.77 ± 0.18 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	0.1189
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4117409.cif
74486	2013-02-27	cif/ Adding structures of 4117409 via cif-deposit CGI script.	4117409.cif