Crystallography Open Database

Information card for entry 1572882

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Coordinates	1572882.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,10-diphenyl-2,3,7,8-tetra(thiophen-2-yl)pyrazino[2,3-g]quinoxaline
Formula	C38 H22 N4 S4
Calculated formula	C38 H22 N4 S4
Title of publication	Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability.
Authors of publication	Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, C. Malla; Senanayak, Satyaprasad P.; Zade, Sanjio S.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	19000 - 19012
a	22.0664 ± 0.0002 Å
b	18.6023 ± 0.0002 Å
c	7.6331 ± 0.0001 Å
α	90°
β	98.659 ± 0.001°
γ	90°
Cell volume	3097.57 ± 0.06 Å³
Cell temperature	273 ± 0.1 K
Ambient diffraction temperature	273 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
296437 (current)	2024-12-06	cif/ Updating files of 1572882 Original log message: Adding full bibliography for 1572882.cif.	1572882.cif
295526	2024-10-18	cif/ Adding structures of 1572882 via cif-deposit CGI script.	1572882.cif