Crystallography Open Database

Information card for entry 4110838

Preview

Coordinates	4110838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H32 N2 O2
Calculated formula	C47 H32 N2 O2
SMILES	O(C)c1ccc(cc1)c1ccc(c2nc3c(nc12)c1ccccc1C1(c2ccccc32)c2ccccc2c2ccccc12)c1ccc(OC)cc1
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	13.863 ± 0.0002 Å
b	16.993 ± 0.0003 Å
c	28.734 ± 0.0005 Å
α	90°
β	93.007 ± 0.001°
γ	90°
Cell volume	6759.66 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1336
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4110838.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110838.cif
59690	2012-06-13	cif/ Adding structures of 4110838 via cif-deposit CGI script.	4110838.cif