Crystallography Open Database

Information card for entry 7036458

Preview

Coordinates	7036458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Li N2 O
Calculated formula	C18 H27 Li N2 O
Title of publication	Ring lithiation of 1,8-bis(dimethylamino)naphthalene: another side of the 'proton sponge coin'.
Authors of publication	Antonov, Alexander S.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Suponitsky, Kyrill Yu; Tolstoy, Peter M.; Vovk, Mikhail A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17756 - 17766
a	8.847 ± 0.004 Å
b	23.449 ± 0.009 Å
c	8.877 ± 0.004 Å
α	90°
β	108.188 ± 0.006°
γ	90°
Cell volume	1749.6 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.2494
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036458.cif
161895	2015-10-09	cif/ Updating files of 7036458 Original log message: Adding full bibliography for 7036458.cif.	7036458.cif
155841	2015-09-10	cif/ Adding structures of 7036458 via cif-deposit CGI script.	7036458.cif