Crystallography Open Database

Information card for entry 1515659

Preview

Coordinates	1515659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 B F10 N
Calculated formula	C22 H20 B F10 N
SMILES	[BH]([C@@H]1[C@@H]([NH+]2CCCC2)CCCC1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Intramolecular frustrated N/B lewis pairs by enamine hydroboration
Authors of publication	Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	9
Pages of publication	1842
a	10.9724 ± 0.0004 Å
b	11.3362 ± 0.0005 Å
c	16.996 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2114.05 ± 0.15 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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