Crystallography Open Database

Information card for entry 4103126

Preview

Coordinates	4103126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 B F10 N4
Calculated formula	C26 H29 B F10 N4
SMILES	[B]1(N(C(C)C)C(N(C=[N]1C(C)C)C(C)C)=NC(C)C)(c1c(F)c(F)c(F)c(F)c1F)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	11.2343 ± 0.0005 Å
b	16.3811 ± 0.0007 Å
c	15.2027 ± 0.0007 Å
α	90°
β	97.19 ± 0.002°
γ	90°
Cell volume	2775.8 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.076
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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