Crystallography Open Database

Information card for entry 4110839

Preview

Coordinates	4110839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 N4
Calculated formula	C47 H34 N4
SMILES	N(c1ccccc1)(C)c1ccc(N(C)c2ccccc2)c2nc3c4ccccc4C4(c5ccccc5c3nc12)c1ccccc1c1ccccc41
Title of publication	Doubly Ortho-Linked Quinoxaline/Diphenylfluorene Hybrids as Bipolar, Fluorescent Chameleons for Optoelectronic Applications
Authors of publication	Chien-Tien Chen; Yi Wei; Jin-Sheng Lin; Murthy V. R. K. Moturu; Wei-San Chao; Yu-Tai Tao; Chin-Hsiung Chien
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	10992 - 10993
a	10.166 ± 0.0001 Å
b	13.63 ± 0.0002 Å
c	27.9975 ± 0.0005 Å
α	89.53 ± 0.001°
β	83.779 ± 0.001°
γ	78.539 ± 0.001°
Cell volume	3779.31 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1538
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2358
Weighted residual factors for all reflections included in the refinement	0.279
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
178879 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08.	4110839.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110839.cif
59691	2012-06-13	cif/ Adding structures of 4110839 via cif-deposit CGI script.	4110839.cif