Crystallography Open Database

Information card for entry 4025670

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Coordinates	4025670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H74 F N13 O P4
Calculated formula	C36 H74 F N13 O P4
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	19.7863 ± 0.0003 Å
b	20.0114 ± 0.0004 Å
c	23.0268 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9117.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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