Crystallography Open Database

Information card for entry 7054208

Preview

Coordinates	7054208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 Cl2 N8 O
Calculated formula	C33 H30 Cl2 N8 O
SMILES	c1cccc(Cn2c[n+](cc2)c2cccc3c2N2CN(C3)c3c(C2)cccc3n2c[n+](cc2)Cc2ccccn2)n1.[Cl-].[Cl-].O
Title of publication	Facile access to imidazole and imidazolium substituted dibenzo-diazocines
Authors of publication	Sathyanarayana, Arruri; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	8
Pages of publication	3613
a	8.3442 ± 0.001 Å
b	12.5633 ± 0.0012 Å
c	15.0779 ± 0.0016 Å
α	84.154 ± 0.008°
β	79.178 ± 0.01°
γ	87.113 ± 0.009°
Cell volume	1543.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.114942
Residual factor for significantly intense reflections	0.072302
Weighted residual factors for all reflections included in the refinement	0.224077
Goodness-of-fit parameter for all reflections included in the refinement	1.08965
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180096 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42.	7054208.cif
121740	2014-08-08	cif/ Updating files of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 Original log message: Adding full bibliography for 7054203--7054208.cif.	7054208.cif
114008	2014-05-20	cif/ Adding structures of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 via cif-deposit CGI script.	7054208.cif