Crystallography Open Database

Information card for entry 1520653

1520652 << 1520653 >> 1520654

Preview

Coordinates	1520653.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	9.992 ± 0.004 Å
b	17.027 ± 0.008 Å
c	9.991 ± 0.004 Å
α	90°
β	109.44 ± 0.02°
γ	90°
Cell volume	1602.9 ± 1.2 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	0.053
Weighted residual factors for significantly intense reflections	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.55
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.	1520653.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520653.cif
139555	2015-06-24	cif/ Adding structures of 1520653 via cif-deposit CGI script.	1520653.cif