Crystallography Open Database

Information card for entry 7054205

Preview

Coordinates	7054205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N6
Calculated formula	C21 H18 N6
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	25.14 ± 0.004 Å
b	5.5409 ± 0.0005 Å
c	13.9897 ± 0.0017 Å
α	90°
β	122.157 ± 0.019°
γ	90°
Cell volume	1649.8 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.0401
Diffraction radiation wavelength	1.54184 Å
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.	7054205.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.	7054205.cif
114008	2014-05-20	cif/ Adding structures of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 via cif-deposit CGI script.	7054205.cif