Crystallography Open Database

Information card for entry 7113142

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Structure parameters

Formula	C29 H19 B F15 N
Calculated formula	C29 H19 B F15 N
SMILES	[BH-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH2+](C(C)(C)C)Cc1ccccc1
Title of publication	Lewis acid-catalyzed hydrogenation: B(C6F5)3-mediated reduction of imines and nitriles with H2.
Authors of publication	Chase, Preston A.; Jurca, Titel; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	14
Pages of publication	1701 - 1703
a	10.2932 ± 0.001 Å
b	13.9127 ± 0.0014 Å
c	20.747 ± 0.002 Å
α	90°
β	104.034 ± 0.001°
γ	90°
Cell volume	2882.4 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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