Crystallography Open Database

Information card for entry 4067025

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Structure parameters

Formula	C14 H5 B F10 O
Calculated formula	C14 H5 B F10 O
SMILES	O(B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)CC
Title of publication	Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies
Authors of publication	Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6012
a	17.7676 ± 0.0016 Å
b	15.2406 ± 0.0018 Å
c	10.8971 ± 0.001 Å
α	90°
β	97.496 ± 0.007°
γ	90°
Cell volume	2925.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	0.839
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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