Crystallography Open Database

Information card for entry 1568183

Preview

Coordinates	1568183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H68 B2 Li2 O6
Calculated formula	C40 H68 B2 Li2 O6
Title of publication	Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
Authors of publication	Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	849 - 860
a	13.1281 ± 0.0009 Å
b	16.9849 ± 0.0016 Å
c	18.645 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4157.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281359 (current)	2023-03-04	cif/ Updating files of 1568181, 1568182, 1568183, 1568184, 1568185, 1568186, 1568187, 1568188, 1568189 Original log message: Adding full bibliography for 1568181--1568189.cif.	1568183.cif
280021	2022-12-24	cif/ Adding structures of 1568181, 1568182, 1568183, 1568184, 1568185, 1568186, 1568187, 1568188, 1568189 via cif-deposit CGI script.	1568183.cif