Crystallography Open Database

Information card for entry 7127280

Preview

Coordinates	7127280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IP480F2F3
Chemical name	IP480F2F3
Formula	C103 H63 Cl9 O2
Calculated formula	C103 H63 Cl9 O2
Title of publication	2,6,10-Triphenylenotriyne: a star-shaped trisaryne.
Authors of publication	Pozo, Iago; Peña, Diego; Guitián, Enrique; Pérez, Dolores
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12853 - 12856
a	15.3787 ± 0.0005 Å
b	16.0584 ± 0.0006 Å
c	16.3664 ± 0.0006 Å
α	85.569 ± 0.002°
β	82.256 ± 0.002°
γ	71.671 ± 0.002°
Cell volume	3799.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1291
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.242
Weighted residual factors for all reflections included in the refinement	0.2814
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260697 (current)	2021-01-07	cif/ Updating files of 7127280 Original log message: Adding full bibliography for 7127280.cif.	7127280.cif
256548	2020-09-19	cif/ Adding structures of 7127280 via cif-deposit CGI script.	7127280.cif