Crystallography Open Database

Information card for entry 4504778

Preview

Coordinates	4504778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Br2 N O4
Calculated formula	C18 H17 Br2 N O4
Title of publication	Supramolecular Assembly in Cinnamate Structures: The Influence of the Ammonium Ion and Halogen Interactions
Authors of publication	Chowdhury, Masrur; Kariuki, Benson M.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	3
Pages of publication	774
a	5.5664 ± 0.0003 Å
b	40.672 ± 0.002 Å
c	3.9542 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	895.22 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.341
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179582 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/47.	4504778.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504778.cif
47525	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504777, 4504778, 4504779, 4504780 via cif-deposit CGI script.	4504778.cif