Crystallography Open Database

Information card for entry 1570333

Preview

Coordinates	1570333.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	difluoromesitylborane
Formula	C9 H11 B F2
Calculated formula	C9 H11 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	12.7357 ± 0.0008 Å
b	9.9509 ± 0.0006 Å
c	6.8757 ± 0.0004 Å
α	90°
β	104.845 ± 0.003°
γ	90°
Cell volume	842.28 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.0718
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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