Crystallography Open Database

Information card for entry 7152519

Preview

Coordinates	7152519.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diphenylboronpicoline-n,n-dimethylacetamide
Formula	C20 H18 B N O
Calculated formula	C20 H18 B N O
SMILES	c1cccc2C=C(C)O[B](c3ccccc3)(c3ccccc3)[n]12
Title of publication	1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Authors of publication	Son, Jung-Ho; Hoefelmeyer, James D.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	33
Pages of publication	6656 - 6664
a	8.4944 ± 0.0004 Å
b	9.8689 ± 0.0005 Å
c	10.9392 ± 0.0006 Å
α	63.499 ± 0.001°
β	87.637 ± 0.001°
γ	81.64 ± 0.001°
Cell volume	811.67 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0399
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180311 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/25.	7152519.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152519.cif
64404	2012-08-12	cif/ Adding structures of 7152499, 7152500, 7152501, 7152502, 7152503, 7152504, 7152505, 7152506, 7152507, 7152508, 7152509, 7152510, 7152511, 7152512, 7152513, 7152514, 7152515, 7152516, 7152517, 7152518, 7152519 via cif-deposit CGI script.	7152519.cif