Crystallography Open Database

Information card for entry 1518751

Preview

Coordinates	1518751.cif

Structure parameters

Formula	C15 H21 N3 O
Title of publication	An NMR Conformational Study of Ring- and N-Inversion, and Prototropic Tautomerism in Stereoisomeric 2-[Arylamino(imino)]-4a,5,6,7,8,8a-hexahydro-(4H)-1,3,4-benzoxadiazines.
Authors of publication	Rosling, Ari; Klika, Karel D.; Fulop, Ferenc; Sillanpaa, Reijo; Mattinen, Jorma
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	103 - 113
a	8.572 ± 0.005 Å
b	18.811 ± 0.003 Å
c	9.73 ± 0.003 Å
α	90°
β	113.82 ± 0.03°
γ	90°
Cell volume	1435.3 ± 1 Å³
Ambient diffraction temperature	293 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 significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188978 (current)	2016-12-06	cif/ (antanas@echidna.ibt.lt) Replacing dummy atoms with unknown values. This is the standard way of marking entries in the COD that do not contain atom coordinates.	1518751.cif
176729	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.	1518751.cif
132132	2015-02-20	cif/ Adding structures of 1518751 via cif-deposit CGI script.	1518751.cif