Crystallography Open Database

Information card for entry 7156817

Preview

Coordinates	7156817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 F N2 O
Calculated formula	C22 H21 F N2 O
Title of publication	Synthesis of pyrazolylvinyl ketones from furan derivatives.
Authors of publication	Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4850 - 4855
a	7.4796 ± 0.0007 Å
b	8.7825 ± 0.0008 Å
c	14.3379 ± 0.0014 Å
α	79.991 ± 0.008°
β	78.903 ± 0.008°
γ	89.752 ± 0.007°
Cell volume	909.76 ± 0.15 Å³
Cell temperature	152 ± 1 K
Ambient diffraction temperature	152 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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

Version history

Revision	Date	Message	Files
225158 (current)	2019-11-08	cif/ Updating files of 7156817 Original log message: Adding full bibliography for 7156817.cif.	7156817.cif
214877	2019-05-01	cif/ Adding structures of 7156817 via cif-deposit CGI script.	7156817.cif