Crystallography Open Database

Information card for entry 1505013

Preview

Coordinates	1505013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 F N3 O2
Calculated formula	C18 H14 F N3 O2
SMILES	Fc1ccc(C2C3=C(N4C(=C2C#N)NC(=O)C4)CCCC3=O)cc1
Title of publication	Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives
Authors of publication	Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min
Journal of publication	Journal of Combinatorial Chemistry
Year of publication	2007
Journal volume	9
Journal issue	6
Pages of publication	1144
a	10.781 ± 0.003 Å
b	14.937 ± 0.004 Å
c	9.839 ± 0.003 Å
α	90°
β	106.27 ± 0.005°
γ	90°
Cell volume	1521 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1168
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	1505013.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505013.cif
44794	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505013 via cif-deposit CGI script.	1505013.cif