Crystallography Open Database

Information card for entry 7129375

Preview

Coordinates	7129375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 B2 F5 Li O8
Calculated formula	C36 H46 B2 F5 Li O8
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	14.9807 ± 0.0007 Å
b	11.3004 ± 0.0003 Å
c	21.6896 ± 0.0009 Å
α	90°
β	102.043 ± 0.003°
γ	90°
Cell volume	3591 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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