Crystallography Open Database

Information card for entry 4032070

4032069 << 4032070 >> 4032071

Preview

Coordinates	4032070.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Chemical name	6-ethyl-2-(3-phenylsydnon-4-yl)indolizine
Formula	C18 H15 N3 O2
Calculated formula	C18 H15 N3 O2
SMILES	O1N=N(=C(C1=O)c1cn2cc(ccc2c1)CC)c1ccccc1
Title of publication	Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis
Authors of publication	Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.
Journal of publication	Beilstein Journal of Organic Chemistry
Year of publication	2016
Journal volume	12
Pages of publication	2503
a	11.7917 ± 0.0005 Å
b	7.5448 ± 0.0003 Å
c	17.661 ± 0.0008 Å
α	90°
β	101.754 ± 0.002°
γ	90°
Cell volume	1538.28 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0685
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
188651 (current)	2016-11-24	cif/ Adding structures of 4032070 via cif-deposit CGI script.	4032070.cif