Crystallography Open Database

Information card for entry 7135686

Preview

Coordinates	7135686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 N2 S3
Calculated formula	C22 H12 N2 S3
Title of publication	Doping-activated thermal polymorphic transition of luminescent organic crystals
Authors of publication	Furukawa, Haruto; Tachikawa, Takashi; Ito, Suguru
Journal of publication	Chemical Communications
Year of publication	2026
a	3.85482 ± 0.00007 Å
b	18.2823 ± 0.0003 Å
c	24.0431 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1694.44 ± 0.05 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/7135686.html