Crystallography Open Database

Information card for entry 4068164

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Structure parameters

Formula	C25 H B F20
Calculated formula	C25 H B F20
SMILES	Fc1c(c(F)c(F)c(F)c1F)B(c1c(F)c(F)c(F)c(F)c1F)C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Insertion Reactions of Diazomethanes and Electrophilic Boranes
Authors of publication	Neu, Rebecca C.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	46
a	10.7172 ± 0.0006 Å
b	10.5334 ± 0.0006 Å
c	11.1932 ± 0.0006 Å
α	90°
β	107.629 ± 0.002°
γ	90°
Cell volume	1204.24 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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