Crystallography Open Database

Information card for entry 1507165

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Structure parameters

Formula	C37 H18 B F15 Si
Calculated formula	C37 H18 B F15 Si
SMILES	c1(c(c(c(c2ccccc12)c1ccccc1)B(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)[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	9.3849 ± 0.0003 Å
b	11.4951 ± 0.0005 Å
c	31.3337 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3380.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2453
Weighted residual factors for all reflections included in the refinement	0.2533
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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