Crystallography Open Database

Information card for entry 1521368

Preview

Coordinates	1521368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40.5 B F4 N0.5 O8
Title of publication	Complexation of Crown Ethers and Podands with Tropylium Cations: Determination of Stability Constants and Crystal Structure of the Dibenzo-24-Crown-8-Tropylium Cation Complex
Authors of publication	Lamsa, Markku; Pursiainen, Jouni; Rissanen, Kari; Huuskonen, Juhani
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	563 - 570
a	14.158 ± 0.002 Å
b	14.791 ± 0.002 Å
c	16.384 ± 0.002 Å
α	90°
β	93.9 ± 0.01°
γ	90°
Cell volume	3423 ± 0.8 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.1025
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.	1521368.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.	1521368.cif
141577	2015-07-10	cif/ Adding structures of 1521368 via cif-deposit CGI script.	1521368.cif