Crystallography Open Database

Information card for entry 7061911

7061910 << 7061911 >> 7061912

Preview

Coordinates	7061911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Br N2 O3
Calculated formula	C7 H7 Br N2 O3
Title of publication	A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour
Authors of publication	Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	39
Pages of publication	18824 - 18831
a	18.4161 ± 0.0007 Å
b	18.4161 ± 0.0007 Å
c	5.545 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1880.6 ± 0.12 Å³
Cell temperature	298.8 ± 0.5 K
Ambient diffraction temperature	298.8 ± 0.5 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061911.html