Crystallography Open Database

Information card for entry 7242579

Preview

Coordinates	7242579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 F N4 O
Calculated formula	C13 H9 F N4 O
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	7.4264 ± 0.0004 Å
b	26.8268 ± 0.0016 Å
c	5.6645 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1128.52 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265942 (current)	2021-06-05	cif/ Updating files of 7242574, 7242575, 7242576, 7242577, 7242578, 7242579, 7242580 Original log message: Adding full bibliography for 7242574--7242580.cif.	7242579.cif
263505	2021-04-01	cif/ Adding structures of 7242574, 7242575, 7242576, 7242577, 7242578, 7242579, 7242580 via cif-deposit CGI script.	7242579.cif