Crystallography Open Database

Information card for entry 7236479

Preview

Coordinates	7236479.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-phenanthrenyl-1,2,3,5-dithiadiazolyl
Formula	C15 H9 N2 S2
Calculated formula	C15 H9 N2 S2
Title of publication	A fluorescent dithiadiazolyl radical: structure and optical properties of phenanthrenyl dithiadiazolyl in solution and polymer composites
Authors of publication	Beldjoudi, Yassine; Osorio-Román, Igor; Nascimento, Mitchell A.; Rawson, Jeremy M.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	11
Pages of publication	2794
a	7.5618 ± 0.0009 Å
b	9.5721 ± 0.0011 Å
c	32.633 ± 0.004 Å
α	90°
β	92.446 ± 0.003°
γ	90°
Cell volume	2359.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
235567 (current)	2019-11-23	cif/ Adding structures of 7236479 via cif-deposit CGI script.	7236479.cif