Crystallography Open Database

Information card for entry 4068374

Preview

Coordinates	4068374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H4 B2 F20 O
Calculated formula	C31 H4 B2 F20 O
SMILES	Fc1c2c(c(F)c(F)c1F)B([O](C)[B]12c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c12)c1c(F)c(F)c(F)c(F)c1c1c(F)c(F)c(F)c(F)c1
Title of publication	Isobutene Polymerization Using Chelating Diboranes: Polymerization in Aqueous Suspension and Hydrocarbon Solution
Authors of publication	Lewis, Stewart P.; Chai, Jianfang; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Fan, Cheng; Parvez, Masood; Piers, Warren E.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	249
a	14.321 ± 0.003 Å
b	10.116 ± 0.002 Å
c	19.919 ± 0.005 Å
α	90°
β	100.601 ± 0.014°
γ	90°
Cell volume	2836.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178573 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/83.	4068374.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068374.cif
39664	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068374 via cif-deposit CGI script.	4068374.cif