Crystallography Open Database

Information card for entry 7129377

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Coordinates	7129377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H90 B2 F5 Na O6
Calculated formula	C66 H90 B2 F5 Na O6
Title of publication	Nucleophilic borylation of fluorobenzenes with reduced arylboranes
Authors of publication	Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Chemical Communications
Year of publication	2021
a	15.1329 ± 0.0012 Å
b	15.4312 ± 0.0014 Å
c	17.5943 ± 0.0016 Å
α	115.739 ± 0.007°
β	93.23 ± 0.007°
γ	112.736 ± 0.006°
Cell volume	3286.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1913
Residual factor for significantly intense reflections	0.1204
Weighted residual factors for significantly intense reflections	0.3236
Weighted residual factors for all reflections included in the refinement	0.3775
Goodness-of-fit parameter for all reflections included in the refinement	1.325
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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