Crystallography Open Database

Information card for entry 1520680

1520679 << 1520680 >> 1520681

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Coordinates	1520680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H37 Br N4
Title of publication	Crystal Structures of Salts of Mono- and Triprotonated [36]Adamanzane, 1,5,9,13-Tetraazatricyclo[7.7.3.3(5,13)]docosane, and Equilibrium Studies of the Reactions between Mono-, Di- and Triprotonated Species, Respectively, Having None, One and Two Lone Pairs Pointing Outwards
Authors of publication	Springborg, Johan; Pretzmann, Ulla; Olsen, Carl Erik; Sotofte, Inger
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	289 - 295
a	15.232 ± 0.008 Å
b	8.786 ± 0.005 Å
c	15.22 ± 0.01 Å
α	90°
β	109.59 ± 0.04°
γ	90°
Cell volume	1919 ± 2 Å³
Ambient diffraction temperature	145 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.3201
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1520680.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.	1520680.cif
139675	2015-06-26	cif/ Adding structures of 1520680 via cif-deposit CGI script.	1520680.cif