Crystallography Open Database

Information card for entry 4104993

Preview

Coordinates	4104993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 N O
Calculated formula	C10.63 H15.63 N0.77 O0.74
Title of publication	Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives
Authors of publication	Yi-Feng Wang; Shunsuke Chiba
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12570 - 12572
a	6.8395 Å
b	9.1094 ± 0.0001 Å
c	10.5243 ± 0.0001 Å
α	68.143 ± 0.006°
β	70.861 ± 0.006°
γ	77.939 ± 0.008°
Cell volume	572.1 ± 0.03 Å³
Cell temperature	80.1 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	10.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178795 (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 4/10/49.	4104993.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104993.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104993.cif
30170	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104993 via cif-deposit CGI script.	4104993.cif