Crystallography Open Database

Information card for entry 7154310

Preview

Coordinates	7154310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N2 O3
Calculated formula	C4 H4 N2 O3
Title of publication	Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.
Authors of publication	Mykhailiuk, Pavel K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	11
Pages of publication	3438 - 3445
a	5.561 Å
b	6.229 Å
c	16.499 Å
α	90°
β	90°
γ	90°
Cell volume	571.517 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0948
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
180329 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/43.	7154310.cif
133550	2015-03-06	cif/ Updating files of 7154310, 7154311, 7154312, 7154313, 7154314, 7154315, 7154316 Original log message: Adding full bibliography for 7154310--7154316.cif.	7154310.cif
130160	2015-01-28	cif/ Adding structures of 7154310, 7154311, 7154312, 7154313, 7154314, 7154315, 7154316 via cif-deposit CGI script.	7154310.cif