Crystallography Open Database

Information card for entry 4510586

Preview

Coordinates	4510586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 N
Calculated formula	C13 H11 N
SMILES	c12ccccc2Nc2c(C1)cccc2
Title of publication	Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine
Authors of publication	Kupka, A.; Schauerte, C.; Merz, K.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	2985
a	7.897 ± 0.004 Å
b	5.861 ± 0.002 Å
c	10.737 ± 0.005 Å
α	90°
β	108.062 ± 0.019°
γ	90°
Cell volume	472.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510586.cif
119059	2014-07-05	cif/ Updating files of 4510584, 4510585, 4510586 Original log message: Adding full bibliography for 4510584--4510586.cif.	4510586.cif
112871	2014-05-06	cif/ Adding structures of 4510586 via cif-deposit CGI script.	4510586.cif