Crystallography Open Database

Information card for entry 7151793

Preview

Coordinates	7151793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 F3 N2 O3 S
Calculated formula	C24 H23 F3 N2 O3 S
Title of publication	Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.
Authors of publication	Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	7
Pages of publication	2279 - 2285
a	17.6246 ± 0.0014 Å
b	12.9407 ± 0.0011 Å
c	20.1134 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4587.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180303 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17.	7151793.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151793.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151793.cif
21268	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151792, 7151793, 7151794, 7151795, 7151796 via cif-deposit CGI script.	7151793.cif