Crystallography Open Database

Information card for entry 7131829

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Coordinates	7131829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 F3 N2 S
Calculated formula	C14 H9 F3 N2 S
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	12.0962 ± 0.0012 Å
b	9.1516 ± 0.0009 Å
c	11.7094 ± 0.001 Å
α	90°
β	97.352 ± 0.005°
γ	90°
Cell volume	1285.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1973
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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