Crystallography Open Database

Information card for entry 4103131

Preview

Coordinates	4103131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 B F10 N2
Calculated formula	C27 H21 B F10 N2
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]([N](=CNC(C)C)C(C)C)(C#Cc1ccccc1)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	8.4288 ± 0.0003 Å
b	9.3068 ± 0.0004 Å
c	17.6394 ± 0.0008 Å
α	76.475 ± 0.002°
β	85.958 ± 0.002°
γ	89.111 ± 0.002°
Cell volume	1342 ± 0.1 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	0.1082
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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