Crystallography Open Database

Information card for entry 1504974

Preview

Coordinates	1504974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N3
Calculated formula	C28 H25 N3
SMILES	c1(C2(C(=Nc3ccccc3N2)c2ccccc2)c2ccc(cc2)N(C)C)ccccc1
Title of publication	Turning on fluorescent emission from C-alkylation on quinoxaline derivatives.
Authors of publication	Son, Ho-Jin; Han, Won-Sik; Wee, Kyung-Ryang; Yoo, Dae-Hwan; Lee, Jong-Ho; Kwon, Soon-Nam; Ko, Jaejung; Kang, Sang Ook
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	23
Pages of publication	5401 - 5404
a	14.7647 ± 0.0013 Å
b	9.1378 ± 0.0008 Å
c	17.0916 ± 0.0015 Å
α	90°
β	100.067 ± 0.002°
γ	90°
Cell volume	2270.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504974.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504974.cif
42512	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504974 via cif-deposit CGI script.	1504974.cif