Crystallography Open Database

Information card for entry 7132133

Preview

Coordinates	7132133.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(bistriflimide) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-p-tolylmethanimine) acetonitrile solvate
Formula	C90 H70 F24 N12 O16 S8
Calculated formula	C90 H70 F24 N12 O16 S8
Title of publication	Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.
Authors of publication	Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
a	11.6487 ± 0.0008 Å
b	12.2187 ± 0.0009 Å
c	17.8531 ± 0.0013 Å
α	74.707 ± 0.001°
β	73.741 ± 0.001°
γ	84.249 ± 0.001°
Cell volume	2352.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.033
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
286340 (current)	2023-09-15	cif/ Adding structures of 7132133, 7132134, 7132135, 7132136, 7132137 via cif-deposit CGI script.	7132133.cif