Crystallography Open Database

Information card for entry 2230047

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Structure parameters

Chemical name	4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate
Formula	C18 H19 B F4 N2 O
Calculated formula	C18 H19 B F4 N2 O
SMILES	C(#N)c1ccccc1c1ccc(cc1)C[NH+]1CCOCC1.[B](F)(F)(F)[F-]
Title of publication	4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium tetrafluoridoborate
Authors of publication	Li, Xiu-juan; Huang, Xian-gang; Li, Kang-jun
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	o1061
a	9.059 ± 0.006 Å
b	9.859 ± 0.008 Å
c	10.597 ± 0.008 Å
α	76.324 ± 0.014°
β	83.71 ± 0.02°
γ	86.5 ± 0.03°
Cell volume	913.5 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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