Crystallography Open Database

Information card for entry 7156815

Preview

Coordinates	7156815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H66 B Li O4
Calculated formula	C58 H66 B Li O4
Title of publication	Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.
Authors of publication	Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5060 - 5065
a	12.764 ± 0.002 Å
b	12.784 ± 0.002 Å
c	14.741 ± 0.003 Å
α	93.062 ± 0.013°
β	91.927 ± 0.013°
γ	96.748 ± 0.012°
Cell volume	2383.4 ± 0.7 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	0.1671
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.1902
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
225187 (current)	2019-11-08	cif/ Updating files of 7156813, 7156814, 7156815, 7156816 Original log message: Adding full bibliography for 7156813--7156816.cif.	7156815.cif
214843	2019-04-30	cif/ Adding structures of 7156813, 7156814, 7156815, 7156816 via cif-deposit CGI script.	7156815.cif