Crystallography Open Database

Information card for entry 4125199

Preview

Coordinates	4125199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 B K N4 O2
Calculated formula	C31 H46 B K N4 O2
SMILES	[K]1234([O]([B](c5ccccc5)(c5ccccc5)c5ccccc5)C=[O]1)[N](C)(C)CC[N]4(CC[N]2(C)C)CC[N]3(C)C
Title of publication	Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.
Authors of publication	Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	34
Pages of publication	10790 - 10793
a	9.57 ± 0.002 Å
b	19.486 ± 0.004 Å
c	17.762 ± 0.004 Å
α	90°
β	102.244 ± 0.004°
γ	90°
Cell volume	3236.9 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
187921 (current)	2016-11-06	cif/ Updating files of 4125195, 4125196, 4125197, 4125198, 4125199 Original log message: Adding full bibliography for 4125195--4125199.cif.	4125199.cif
185872	2016-08-18	cif/ Adding structures of 4125195, 4125196, 4125197, 4125198, 4125199 via cif-deposit CGI script.	4125199.cif