Crystallography Open Database

Information card for entry 7046395

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Coordinates	7046395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 B O2 S2
Calculated formula	C34.007 H39.007 B O2 S1.993
Title of publication	Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials.
Authors of publication	Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10399 - 10403
a	9.299 ± 0.003 Å
b	13.239 ± 0.005 Å
c	13.676 ± 0.005 Å
α	97.674 ± 0.008°
β	101.18 ± 0.007°
γ	107.537 ± 0.007°
Cell volume	1541.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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