Crystallography Open Database

Information card for entry 1572081

1572080 << 1572081 >> 1572082

Preview

Coordinates	1572081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 N S2
Calculated formula	C36 H21 N S2
Title of publication	Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.
Authors of publication	Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12316 - 12325
a	19.1082 ± 0.0012 Å
b	3.94 ± 0.0002 Å
c	32.2145 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2425.3 ± 0.2 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2408
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294488 (current)	2024-09-06	cif/ Updating files of 1572080, 1572081 Original log message: Adding full bibliography for 1572080--1572081.cif.	1572081.cif
293303	2024-07-09	cif/ Adding structures of 1572080, 1572081 via cif-deposit CGI script.	1572081.cif