Crystallography Open Database

Information card for entry 7154625

Preview

Coordinates	7154625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H66 B2 N2 O2
Calculated formula	C43 H66 B2 N2 O2
Title of publication	Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.
Authors of publication	Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	37
Pages of publication	9659 - 9664
a	7.202 ± 0.0009 Å
b	39.014 ± 0.004 Å
c	13.9823 ± 0.0017 Å
α	90°
β	90.614 ± 0.004°
γ	90°
Cell volume	3928.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7154625.cif
162191	2015-10-09	cif/ Updating files of 7154624, 7154625, 7154626 Original log message: Adding full bibliography for 7154624--7154626.cif.	7154625.cif
152724	2015-08-04	cif/ Adding structures of 7154624, 7154625, 7154626 via cif-deposit CGI script.	7154625.cif