Crystallography Open Database

Information card for entry 7224526

Preview

Coordinates	7224526.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-Fluoro-dibenzo[b,h][1,6]naphthyridine
Formula	C16 H9 F N2
Calculated formula	C16 H9 F N2
SMILES	c12nc3c(cc1cnc1c2cc(F)cc1)cccc3
Title of publication	Ligand-free palladium catalyzed facile construction of tetra cyclic dibenzo[b,h][1,6]naphthyridine derivatives: Domino sequence of intramolecular C-H bond arylation and oxidation reactions
Authors of publication	singh, jay bahadur; Bharadwaj, Kishor Chandra; Gupta, Tanu; Singh, Radhey M.
Journal of publication	RSC Adv.
Year of publication	2016
a	10.153 ± 0.005 Å
b	10.171 ± 0.005 Å
c	12.242 ± 0.005 Å
α	77.609 ± 0.005°
β	78.327 ± 0.005°
γ	75.424 ± 0.005°
Cell volume	1180.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
177659 (current)	2016-03-05	cif/ Adding structures of 7224526 via cif-deposit CGI script.	7224526.cif