Crystallography Open Database

Information card for entry 7106395

Preview

Coordinates	7106395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 B F15 N
Calculated formula	C35 H27 B F15 N
SMILES	Fc1c(c(F)c(F)c(F)c1F)[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH2+]([C@H]1[C@@]2(CC[C@H](C1)C2(C)C)C)Cc1ccccc1
Title of publication	Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+
Authors of publication	Zachariah Heiden; Douglas Stephan
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5729
a	18.0599 ± 0.0008 Å
b	10.8893 ± 0.0005 Å
c	18.3548 ± 0.0008 Å
α	90°
β	115.315 ± 0.002°
γ	90°
Cell volume	3263 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1273
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1846
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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