Crystallography Open Database

Information card for entry 4107215

Preview

Coordinates	4107215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 B3 F20 N2
Calculated formula	C30 H23 B3 F20 N2
Title of publication	N-Directed Aliphatic C-H Borylation Using Borenium Cation Equivalents
Authors of publication	Aleksandrs Prokofjevs; Edwin Vedejs
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20056 - 20059
a	10.3435 ± 0.0009 Å
b	12.4348 ± 0.0011 Å
c	13.7303 ± 0.0012 Å
α	76.7247 ± 0.0013°
β	81.6108 ± 0.0013°
γ	78.5633 ± 0.0013°
Cell volume	1675.3 ± 0.3 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.0451
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107215.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107215.cif
54867	2012-04-30	cif/ Adding structures of 4107215 via cif-deposit CGI script.	4107215.cif