Crystallography Open Database

Information card for entry 1570532

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Coordinates	1570532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 S3 Si
Calculated formula	C23 H18 S3 Si
Title of publication	Thia[<i>n</i>]helicenes with long persistent phosphorescence.
Authors of publication	Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	3
Pages of publication	1077 - 1087
a	21.1138 ± 0.0008 Å
b	7.7627 ± 0.0002 Å
c	24.2285 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3971.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.97 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	0.059
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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