Crystallography Open Database

Information card for entry 7152499

Preview

Coordinates	7152499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 B2 N2
Calculated formula	C20 H32 B2 N2
SMILES	c1cccc2C[B](CC)(CC)[n]3ccccc3C[B](CC)(CC)[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	30.181 ± 0.003 Å
b	9.9266 ± 0.0008 Å
c	14.6281 ± 0.0012 Å
α	90°
β	118.99°
γ	90°
Cell volume	3833.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1051
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7152499.cif
180310	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 7/15/24.	7152499.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152499.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.	7152499.cif