Crystallography Open Database

Information card for entry 1508680

Preview

Coordinates	1508680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N2 O0.5
Calculated formula	C18 H15 N2 O0.5
Title of publication	Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.
Authors of publication	Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	19
Pages of publication	5090 - 5093
a	23.4787 ± 0.0018 Å
b	6.9212 ± 0.0006 Å
c	16.9815 ± 0.0012 Å
α	90°
β	107.401 ± 0.003°
γ	90°
Cell volume	2633.2 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	1508680.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508680.cif
72163	2013-01-21	cif/ Adding structures of 1508680, 1508681 via cif-deposit CGI script.	1508680.cif