Crystallography Open Database

Information card for entry 7150893

Preview

Coordinates	7150893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 Cl3 N6 O4.5
Calculated formula	C43 H54 Cl3 N6 O4.5
Title of publication	Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions
Authors of publication	Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	10
Pages of publication	1751 - 1755
a	12.077 ± 0.002 Å
b	13.878 ± 0.003 Å
c	14.279 ± 0.003 Å
α	108.73 ± 0.03°
β	107.18 ± 0.03°
γ	95.52 ± 0.03°
Cell volume	2116.5 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7150893.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7150893.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150893.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150893.cif