Crystallography Open Database

Information card for entry 7242924

Preview

Coordinates	7242924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 F N2
Calculated formula	C10 H5 F N2
SMILES	c1(C=C(C#N)C#N)ccc(F)cc1
Title of publication	Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups
Authors of publication	Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	31
Pages of publication	18768 - 18775
a	6.9541 ± 0.0007 Å
b	7.3664 ± 0.0005 Å
c	9.1492 ± 0.001 Å
α	107.194 ± 0.008°
β	99.036 ± 0.009°
γ	102.848 ± 0.008°
Cell volume	423.86 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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