Crystallography Open Database

Information card for entry 4103133

Preview

Coordinates	4103133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 B F10 N2
Calculated formula	C19 H15 B F10 N2
SMILES	F[B]1([N](=CN(C(C)C)c2c1c(F)c(F)c(F)c2F)C(C)C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules
Authors of publication	Meghan A. Dureen; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13559 - 13568
a	14.3554 ± 0.0003 Å
b	15.9382 ± 0.0003 Å
c	20.1115 ± 0.0004 Å
α	89.598 ± 0.001°
β	74.192 ± 0.001°
γ	64.346 ± 0.001°
Cell volume	3958.26 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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