Crystallography Open Database

Information card for entry 4120755

4120754 << 4120755 >> 4120756

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Structure parameters

Formula	C36 H54 Li2 N2 O Si2
Calculated formula	C36 H54 Li2 N2 O Si2
Title of publication	Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group
Authors of publication	Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13371 - 13378
a	13.9876 ± 0.0001 Å
b	21.0189 ± 0.0002 Å
c	25.6451 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7539.76 ± 0.11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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