Crystallography Open Database

Information card for entry 7061909

7061908 << 7061909 >> 7061910

Preview

Coordinates	7061909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl2 N4 O6
Calculated formula	C14 H14 Cl2 N4 O6.02
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	18.7318 ± 0.0005 Å
b	18.7318 ± 0.0005 Å
c	5.1839 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1818.93 ± 0.1 Å³
Cell temperature	300 ± 1 K
Ambient diffraction temperature	300 ± 1 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	0.0481
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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