Crystallography Open Database

Information card for entry 4109829

Preview

Coordinates	4109829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 N O5
Calculated formula	C14 H22 N O5
SMILES	C1[C@@H]2CCC([C@H]1C(C2)(C(=O)OCC)C(=O)OCC)=NO.C1[C@H]2CCC([C@@H]1C(C2)(C(=O)OCC)C(=O)OCC)=NO
Title of publication	Construction of Bridged and Fused Ring Systems via Intramolecular Michael Reactions of Vinylnitroso Compounds
Authors of publication	Ilia Korboukh; Praveen Kumar; Steven M. Weinreb
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10342 - 10343
a	12.467 ± 0.003 Å
b	15.301 ± 0.004 Å
c	14.892 ± 0.004 Å
α	90°
β	90.615 ± 0.005°
γ	90°
Cell volume	2840.6 ± 1.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1498
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
178844 (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 4/10/98.	4109829.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109829.cif
58607	2012-05-29	cif/ Adding structures of 4109829 via cif-deposit CGI script.	4109829.cif