Crystallography Open Database

Information card for entry 4085063

Preview

Coordinates	4085063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H33 B2 F15 N2 Si2
Calculated formula	C44 H33 B2 F15 N2 Si2
SMILES	[B]1([n]2ccccc2)(C(=C([B]([n]2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C(=C1[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C)c1ccccc1
Title of publication	Reactions of Boroles Formed by 1,1-Carboboration
Authors of publication	Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	229
a	10.0744 ± 0.0003 Å
b	13.5124 ± 0.0005 Å
c	19.2866 ± 0.0009 Å
α	70.732 ± 0.003°
β	75.681 ± 0.002°
γ	73.754 ± 0.004°
Cell volume	2344.38 ± 0.17 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	0.0564
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085063.cif
130801	2015-02-04	cif/ Updating files of 4085059, 4085060, 4085061, 4085062, 4085063 Original log message: Adding full bibliography for 4085059--4085063.cif.	4085063.cif
128976	2014-12-21	cif/ Adding structures of 4085059, 4085060, 4085061, 4085062, 4085063 via cif-deposit CGI script.	4085063.cif