Crystallography Open Database

Information card for entry 1570336

Preview

Coordinates	1570336.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	difluoro(2,3,4,5,6-pentamethylphenyl)borane
Formula	C11 H15 B F2
Calculated formula	C11 H15 B F2
Title of publication	Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.
Authors of publication	Turnbull, Douglas; Légaré, Marc-André
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14256 - 14261
a	6.0599 ± 0.0004 Å
b	9.1583 ± 0.0006 Å
c	10.5791 ± 0.0007 Å
α	66.23 ± 0.004°
β	84.512 ± 0.004°
γ	72.336 ± 0.004°
Cell volume	511.75 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.0825
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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