Crystallography Open Database

Information card for entry 4025671

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Coordinates	4025671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 F Li N3 O
Calculated formula	C23 H31 F Li N3 O
Title of publication	Structure and Dynamics of α-Aryl Amide and Ketone Enolates: THF, PMDTA, TMTAN, HMPA, and Crypt-Solvated Lithium Enolates, and Comparison with Phosphazenium Analogues
Authors of publication	Kristopher J. Kolonko; Ilia A. Guzei; Hans J. Reich
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	6163 - 6172
a	31.1042 ± 0.0005 Å
b	7.9346 ± 0.0001 Å
c	17.6162 ± 0.0003 Å
α	90°
β	92.5997 ± 0.0009°
γ	90°
Cell volume	4343.19 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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