Crystallography Open Database

Information card for entry 7132136

Preview

Coordinates	7132136.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(triflate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-phenylmethanimine) bis(aniline)
Formula	C92 H74 F12 N8 O12 S4
Calculated formula	C92 H74 F12 N8 O12 S4
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	11.6339 ± 0.0017 Å
b	20.236 ± 0.003 Å
c	18.043 ± 0.003 Å
α	90°
β	102.544 ± 0.003°
γ	90°
Cell volume	4146.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7132136.cif