Crystallography Open Database

Information card for entry 1520646

1520645 << 1520646 >> 1520647

Preview

Coordinates	1520646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 O2 S3
Title of publication	New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.
Authors of publication	Hegab, Mohamed I.; Abdel-Megeid, Farouk M. E.; Gad, Farouk A.; Shiba, Sayed A.; Sotofte, Inger; Moller, Jorgen; Senning, Alexander
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	133 - 140
a	11.0967 ± 0.0005 Å
b	16.8755 ± 0.0008 Å
c	12.4165 ± 0.0006 Å
α	90°
β	99.078 ± 0.001°
γ	90°
Cell volume	2296.02 ± 0.19 Å³
Ambient diffraction temperature	296 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	0.081
Weighted residual factors for significantly intense reflections	0.1863
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.	1520646.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.	1520646.cif
139548	2015-06-24	cif/ Adding structures of 1520646 via cif-deposit CGI script.	1520646.cif