Crystallography Open Database

Information card for entry 7118009

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Coordinates	7118009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Al F6 N2
Calculated formula	C35 H41 Al F6 N2
SMILES	[Al]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Oxidative addition of carbon-fluorine and carbon-oxygen bonds to Al(I)
Authors of publication	Mark R. Crimmin; Michael J. Butler; Andrew J. P. White
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15994
a	22.5345 ± 0.0003 Å
b	17.93193 ± 0.00019 Å
c	26.6666 ± 0.0004 Å
α	90°
β	110.278 ± 0.0015°
γ	90°
Cell volume	10107.8 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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