Crystallography Open Database

Information card for entry 4085185

Preview

Coordinates	4085185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Li N O2 Si
Calculated formula	C14 H28 Li N O2 Si
SMILES	[Si]1(C2[CH](=CC=C)[Li]342[O](CC[N]4(C1)CC[O]3C)C)(C)C
Title of publication	Directed Lithiation of Pentadienylsilanes
Authors of publication	Day, Benjamin M.; McDouall, Joseph J. W.; Clayden, Jonathan; Layfield, Richard A.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2348
a	7.6101 ± 0.0003 Å
b	8.4731 ± 0.0004 Å
c	14.0204 ± 0.0007 Å
α	85.418 ± 0.004°
β	78.953 ± 0.004°
γ	80.657 ± 0.004°
Cell volume	874.42 ± 0.07 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178740 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51.	4085185.cif
141384	2015-07-09	cif/ Updating files of 4085184, 4085185 Original log message: Adding full bibliography for 4085184--4085185.cif.	4085185.cif
129929	2015-01-17	cif/ Adding structures of 4085184, 4085185 via cif-deposit CGI script.	4085185.cif