Crystallography Open Database

Information card for entry 7714783

Preview

Coordinates	7714783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 As B S
Calculated formula	C27 H24 As B S
SMILES	[As]1(=S)(c2c(cccc2)B(c2c1cccc2)c1c(cc(cc1C)C)C)c1ccccc1
Title of publication	Synthesis, structures, and photophysical properties of π-extended arsaborins.
Authors of publication	Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1706 - 1713
a	9.5976 ± 0.0007 Å
b	11.9622 ± 0.0006 Å
c	20.8108 ± 0.0011 Å
α	89.766 ± 0.004°
β	78.127 ± 0.005°
γ	77.208 ± 0.005°
Cell volume	2278 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
289490 (current)	2024-02-04	cif/ Updating files of 7714770, 7714771, 7714772, 7714773, 7714774, 7714775, 7714776, 7714777, 7714778, 7714779, 7714780, 7714781, 7714782, 7714783 Original log message: Adding full bibliography for 7714770--7714783.cif.	7714783.cif
288453	2023-12-21	cif/ Adding structures of 7714770, 7714771, 7714772, 7714773, 7714774, 7714775, 7714776, 7714777, 7714778, 7714779, 7714780, 7714781, 7714782, 7714783 via cif-deposit CGI script.	7714783.cif