Crystallography Open Database

Information card for entry 1507163

Preview

Structure parameters

Formula	C34 H22 B F15 Si2
Calculated formula	C34 H22 B F15 Si2
SMILES	c1(c(c(c(c2ccccc12)[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C
Title of publication	1,1-carboboration route to substituted naphthalenes.
Authors of publication	Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	1448 - 1451
a	13.0955 ± 0.0003 Å
b	18.5015 ± 0.0006 Å
c	28.2301 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6839.8 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507163.html