Crystallography Open Database

Information card for entry 7242923

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Coordinates	7242923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 F2 N4 O4 S8
Calculated formula	C32 H45.9988 F2 N4 O4 S8
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	8.1311 ± 0.0004 Å
b	11.9456 ± 0.0007 Å
c	12.1 ± 0.0012 Å
α	103.82 ± 0.007°
β	109.146 ± 0.006°
γ	93.699 ± 0.004°
Cell volume	1064.98 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	0.877
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265534 (current)	2021-05-27	cif/ Adding structures of 7242923, 7242924, 7242925 via cif-deposit CGI script.	7242923.cif