Crystallography Open Database

Information card for entry 7242580

Preview

Coordinates	7242580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 F N4 O2
Calculated formula	C14 H11 F N4 O2
Title of publication	Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties
Authors of publication	Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3220 - 3229
a	28.9051 ± 0.0018 Å
b	3.9102 ± 0.0002 Å
c	11.6155 ± 0.0007 Å
α	90°
β	108.226 ± 0.003°
γ	90°
Cell volume	1246.97 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7242580.html