Crystallography Open Database

Information card for entry 7243492

Preview

Coordinates	7243492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H15 N6
Calculated formula	C39 H15 N6
Title of publication	Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph
Authors of publication	Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	40
Pages of publication	7132 - 7140
a	7.3212 ± 0.0014 Å
b	9.9861 ± 0.0019 Å
c	19.292 ± 0.003 Å
α	78.231 ± 0.012°
β	89.49 ± 0.013°
γ	77.581 ± 0.013°
Cell volume	1347.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1582
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243492.html