Crystallography Open Database

Information card for entry 1507164

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Structure parameters

Formula	C36 H26 B F15 Si2
Calculated formula	C36 H26 B F15 Si2
SMILES	c1([Si](C)(C)C)c(c(c([Si](C)(C)C)c2cc(C)c(C)cc12)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
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	12.8769 ± 0.0003 Å
b	18.9861 ± 0.0004 Å
c	29.5893 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7234.1 ± 0.3 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	0.0607
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1218
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

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