Crystallography Open Database

Information card for entry 1572934

Preview

Coordinates	1572934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H11 B S3
Calculated formula	C20 H11 B S3
SMILES	S1c2c3B(c4c5c(sc4Sc3ccc2)cccc5)c2c1cccc2
Title of publication	Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.
Authors of publication	Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	46
Pages of publication	19432 - 19442
a	18.0631 ± 0.0008 Å
b	7.556 ± 0.0003 Å
c	22.9236 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3128.7 ± 0.2 Å³
Cell temperature	281 ± 2 K
Ambient diffraction temperature	281 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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