Crystallography Open Database

Information card for entry 1520654

1520653 << 1520654 >> 1520655

Preview

Coordinates	1520654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N2 O
Title of publication	The Conformational Behaviour of 4,4a,5,6,7,8-Hexahydropyrido[1,2-d] [1,3,4]oxadiazine Derivatives Studied by NMR Spectroscopy and Molecular Mechanics
Authors of publication	Rosling, Ari; Hotokka, Matti; 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	213 - 221
a	9.621 ± 0.004 Å
b	11.641 ± 0.006 Å
c	7.681 ± 0.003 Å
α	108.01 ± 0.04°
β	95.03 ± 0.04°
γ	76.95 ± 0.04°
Cell volume	796.8 ± 0.7 Å³
Ambient diffraction temperature	293 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	0.03
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for all reflections included in the refinement	1.62
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.	1520654.cif
139556	2015-06-24	cif/ Adding structures of 1520654 via cif-deposit CGI script.	1520654.cif