Crystallography Open Database

Information card for entry 4114429

Preview

Coordinates	4114429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H15 B2 Cl F24
Calculated formula	C49 H15 B2 Cl F24
SMILES	[Cl]1[B](c2c(c(F)c(F)c(F)c2F)[B]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Isobutene Polymerization Using a Chelating Diborane Co-Initiator
Authors of publication	Stewart P. Lewis; Nicholas J. Taylor; Warren E. Piers; Scott Collins
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14686 - 14687
a	11.2135 ± 0.0004 Å
b	11.7384 ± 0.0005 Å
c	19.3086 ± 0.0008 Å
α	72.61 ± 0.001°
β	89.354 ± 0.001°
γ	62.433 ± 0.001°
Cell volume	2125.66 ± 0.15 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0569
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.593
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
178915 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44.	4114429.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114429.cif
67750	2012-10-03	cif/ Adding structures of 4114429 via cif-deposit CGI script.	4114429.cif