Crystallography Open Database

Information card for entry 4503047

Preview

Coordinates	4503047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 Cl2 N4 O4
Calculated formula	C20 H8 Cl2 N4 O4
SMILES	c1c2C(=O)N(C(=O)c2cc2C(=O)N(C(=O)c12)c1cc(ncc1)Cl)c1cc(ncc1)Cl
Title of publication	Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction
Authors of publication	Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1147
a	7.8867 ± 0.0005 Å
b	7.5288 ± 0.0006 Å
c	14.3507 ± 0.0009 Å
α	90°
β	93.163 ± 0.007°
γ	90°
Cell volume	850.81 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
RFsqd	0.05949
Goodness-of-fit parameter for all reflections	2.01
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54051 Å
Diffraction radiation type	CuKalpha1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179561 (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 4/50/30.	4503047.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503047.cif
41311	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503047 via cif-deposit CGI script.	4503047.cif