Crystallography Open Database

Information card for entry 4128415

Preview

Coordinates	4128415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 B2 Li2 O4
Calculated formula	C42 H54 B2 Li2 O4
Title of publication	Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts.
Authors of publication	von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	14
Pages of publication	6082 - 6091
a	9.1549 ± 0.0007 Å
b	9.8159 ± 0.0007 Å
c	11.6092 ± 0.0009 Å
α	69.862 ± 0.006°
β	79.949 ± 0.006°
γ	81.811 ± 0.006°
Cell volume	960.6 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0873
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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