Crystallography Open Database

Information card for entry 7130755

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Coordinates	7130755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H29 B F3 N O8
Calculated formula	C14 H29 B F3 N O8
Title of publication	Monotrifluoroacetoxyborane-amines: Chemoselective reagents for challenging reductive aminations
Authors of publication	RAMACHANDRAN, P. Veeraraghavan Veeraghavan; Choudhary, Shivani
Journal of publication	Chemical Communications
Year of publication	2022
a	13.3739 ± 0.0017 Å
b	17.908 ± 0.002 Å
c	8.4752 ± 0.0008 Å
α	90°
β	97.311 ± 0.004°
γ	90°
Cell volume	2013.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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