Crystallography Open Database

Information card for entry 7131832

Preview

Coordinates	7131832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 N3 S
Calculated formula	C25 H17 N3 S
SMILES	s1c(N)nc2c1cc(c1ccc(n3c4ccccc4c4c3cccc4)cc1)cc2
Title of publication	New charge transfer-based organic room temperature phosphorescent trace doping systems.
Authors of publication	Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	54
Pages of publication	8396 - 8399
a	10.7111 ± 0.0003 Å
b	8.8354 ± 0.0003 Å
c	21.003 ± 0.0007 Å
α	90°
β	101.75 ± 0.001°
γ	90°
Cell volume	1946.01 ± 0.11 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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