Crystallography Open Database

Information card for entry 2238605

Preview

Coordinates	2238605.cif
Original IUCr paper	HTML

Structure parameters

Common name	5,6-dimethyl-1,10-phenanthroline
Chemical name	5,6-Dimethyl-1,10-phenanthroline
Formula	C14 H12 N2
Calculated formula	C14 H12 N2
SMILES	Cc1c(C)c2cccnc2c2c1cccn2
Title of publication	5,6-Dimethyl-1,10-phenanthroline
Authors of publication	Rozenel, Sergio S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1560
a	7.1932 ± 0.0007 Å
b	10.0572 ± 0.001 Å
c	13.8729 ± 0.0013 Å
α	90°
β	93.673 ± 0.005°
γ	90°
Cell volume	1001.55 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238605.cif
89539	2013-11-06	cif/ Adding structures of 2238605 via cif-deposit CGI script.	2238605.cif