Crystallography Open Database

Information card for entry 7714770

Preview

Coordinates	7714770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 As B
Calculated formula	C27 H24 As B
SMILES	[As]1(c2c(B(c3c1cccc3)c1c(cc(cc1C)C)C)cccc2)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	9.0332 ± 0.0009 Å
b	11.5594 ± 0.0015 Å
c	12.589 ± 0.002 Å
α	114.397 ± 0.015°
β	91.526 ± 0.011°
γ	112.134 ± 0.011°
Cell volume	1082.7 ± 0.3 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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.	7714770.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.	7714770.cif