Crystallography Open Database

Information card for entry 4105836

Preview

Coordinates	4105836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H22 B Cl2 F15 P2
Calculated formula	C45 H22 B Cl2 F15 P2
Title of publication	P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage
Authors of publication	Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4610 - 4616
a	9.7976 ± 0.0002 Å
b	10.846 ± 0.0004 Å
c	21.187 ± 0.0007 Å
α	95.231 ± 0.002°
β	102.492 ± 0.002°
γ	104.305 ± 0.002°
Cell volume	2104.94 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178804 (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 4/10/58.	4105836.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105836.cif
52606	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105836 via cif-deposit CGI script.	4105836.cif