Crystallography Open Database

Information card for entry 7225505

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Structure parameters

Formula	C23 H14 F3 N3 O8
Calculated formula	C23 H14 F3 N3 O8
Title of publication	One-pot synthesis of functionalized benzo[c]coumarins and their precursors via the reaction of 2-(polyfluoroalkyl)chromones with 4-alkyl-3-cyanocoumarins
Authors of publication	Sosnovskikh, Vyacheslav; Korotaev, Vladislav; Kutyashev, Igor; Barkov, Alexey; Safrygin, Alexander
Journal of publication	RSC Adv.
Year of publication	2016
a	10.5239 ± 0.0005 Å
b	11.2068 ± 0.0006 Å
c	20.678 ± 0.001 Å
α	104.099 ± 0.004°
β	96.924 ± 0.004°
γ	99.452 ± 0.004°
Cell volume	2300.1 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.1581
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225505.cif
183426	2016-06-11	cif/ Adding structures of 7225501, 7225502, 7225503, 7225504, 7225505 via cif-deposit CGI script.	7225505.cif