Crystallography Open Database

Information card for entry 1570532

Preview

Coordinates	1570532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 S3 Si
Calculated formula	C23 H18 S3 Si
SMILES	s1c2sc3sc4ccc5ccc6ccccc6c5c4c3c2cc1[Si](C)(C)C
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

Version history

Revision	Date	Message	Files
289434 (current)	2024-02-04	cif/ Updating files of 1570529, 1570530, 1570531, 1570532 Original log message: Adding full bibliography for 1570529--1570532.cif.	1570532.cif
288200	2023-12-09	cif/ Adding structures of 1570529, 1570530, 1570531, 1570532 via cif-deposit CGI script.	1570532.cif