Crystallography Open Database

Information card for entry 7230580

Preview

Coordinates	7230580.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-acetyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione
Formula	C20 H15 F N2 O3
Calculated formula	C20 H15 F N2 O3
Title of publication	A new efficient domino approach for the synthesis of pyrazolyl-phthalazine-diones. Antiradical activity of novel phenolic products
Authors of publication	Simijonović, Dušica; Petrović, Zorica D.; Milovanović, Vesna M.; Petrović, Vladimir P.; Bogdanović, Goran A.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	30
Pages of publication	16663
a	22.7947 ± 0.0013 Å
b	7.8451 ± 0.0004 Å
c	37.255 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6662.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1427
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
207663 (current)	2018-05-04	cif/ Adding structures of 7230580 via cif-deposit CGI script.	7230580.cif