Crystallography Open Database

Information card for entry 4103129

Preview

Coordinates	4103129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 B F10 N2 O
Calculated formula	C28 H25 B F10 N2 O
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]1(OC(N(C=[N]1C(C)(C)C)C(C)(C)C)c1ccccc1)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	9.7338 ± 0.0003 Å
b	14.8731 ± 0.0004 Å
c	18.2826 ± 0.0005 Å
α	90°
β	93.477 ± 0.002°
γ	90°
Cell volume	2641.93 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0649
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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