Crystallography Open Database

Information card for entry 4503049

Preview

Coordinates	4503049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N4 O8
Calculated formula	C20 H18 N4 O8
SMILES	c1(c(C(=O)O)cc(c(c1)C(=O)O)C(=O)[O-])C(=O)[O-].c1(cc[nH+]cc1)N.c1(cc[nH+]cc1)N
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	11.39876 ± 0.00018 Å
b	11.8643 ± 0.00015 Å
c	3.80225 ± 0.00006 Å
α	96.3647 ± 0.0014°
β	95.9064 ± 0.0015°
γ	108.898 ± 0.0012°
Cell volume	478.197 ± 0.013 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
RFsqd	0.09115
Goodness-of-fit parameter for all reflections	2.51
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54051 Å
Diffraction radiation type	CuKα1
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.	4503049.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503049.cif
41313	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503049 via cif-deposit CGI script.	4503049.cif