Crystallography Open Database

Information card for entry 1573235

Preview

Coordinates	1573235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 As O4 S2
Calculated formula	C23 H15 As O4 S2
Title of publication	Dithienoarsinines: stable and planar π-extended arsabenzenes.
Authors of publication	Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	3
Pages of publication	1126 - 1135
a	17.8326 ± 0.0012 Å
b	7.736 ± 0.0006 Å
c	30.234 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4170.9 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
298156 (current)	2025-03-04	cif/ Updating files of 1573224, 1573225, 1573226, 1573227, 1573228, 1573229, 1573230, 1573231, 1573232, 1573233, 1573234, 1573235 Original log message: Adding full bibliography for 1573224--1573235.cif.	1573235.cif
296021	2024-11-21	cif/ Adding structures of 1573224, 1573225, 1573226, 1573227, 1573228, 1573229, 1573230, 1573231, 1573232, 1573233, 1573234, 1573235 via cif-deposit CGI script.	1573235.cif