Crystallography Open Database

Information card for entry 4134205

Preview

Coordinates	4134205.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ARM518
Formula	C26 H21.56 B F3 K O1.28
Calculated formula	C26 H21 B F3 K O1.282
Title of publication	Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates.
Authors of publication	Music, Arif; Baumann, Andreas Nicolas; Spie Szlig, Philipp; Plantefol, Allan; Jagau, Thomas-C; Didier, Dorian
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	9.8924 ± 0.0004 Å
b	10.0377 ± 0.0004 Å
c	11.5787 ± 0.0004 Å
α	82.567 ± 0.001°
β	81.296 ± 0.001°
γ	88.212 ± 0.001°
Cell volume	1126.86 ± 0.07 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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