Crystallography Open Database

Information card for entry 1506564

Preview

Coordinates	1506564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 N O2
Calculated formula	C6 H9 N O2
Title of publication	Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.
Authors of publication	Hu, Tianshun; Li, Chaozhong
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	10
Pages of publication	2035 - 2038
a	8.6325 ± 0.0011 Å
b	8.2795 ± 0.001 Å
c	9.4032 ± 0.0012 Å
α	90°
β	108.713 ± 0.002°
γ	90°
Cell volume	636.55 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2128
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506564.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506564.cif
50407	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506564 via cif-deposit CGI script.	1506564.cif