Crystallography Open Database

Information card for entry 7235203

Preview

Coordinates	7235203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H15 N5
Calculated formula	C28 H15 N5
Title of publication	Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ
Authors of publication	Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	720 - 727
a	6.7858 ± 0.0002 Å
b	8.7123 ± 0.0002 Å
c	18.1329 ± 0.0004 Å
α	99.099 ± 0.002°
β	91.152 ± 0.002°
γ	97.907 ± 0.002°
Cell volume	1047.5 ± 0.05 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	0.1352
Residual factor for significantly intense reflections	0.1199
Weighted residual factors for significantly intense reflections	0.2771
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257457 (current)	2020-10-06	cif/ Updating files of 7235203 Original log message: Adding full bibliography for 7235203.cif.	7235203.cif
247669	2020-02-04	cif/ Updating files of 7235203 Original log message: Adding full bibliography for 7235203.cif.	7235203.cif
231065	2019-11-20	cif/ Adding structures of 7235203 via cif-deposit CGI script.	7235203.cif