Crystallography Open Database

Information card for entry 7155023

Preview

Coordinates	7155023.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide
Formula	C18 H13 K N2 O7
Calculated formula	C18 H13 K N2 O7
Title of publication	Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.
Authors of publication	Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	15
Pages of publication	3758 - 3764
a	14.498 ± 0.005 Å
b	13.886 ± 0.004 Å
c	18.696 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3763.9 ± 1.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1007
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
182784 (current)	2016-05-06	cif/ Updating files of 7155021, 7155022, 7155023 Original log message: Adding full bibliography for 7155021--7155023.cif.	7155023.cif
178043	2016-03-09	cif/ Adding structures of 7155021, 7155022, 7155023 via cif-deposit CGI script.	7155023.cif