Crystallography Open Database

Information card for entry 7112798

Preview

Coordinates	7112798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H33 N4 Y
Calculated formula	C18 H29.5 N4 Y
Title of publication	Three different product types from reactions of lithiated cyclic aminals with trivalent organometal chlorides.
Authors of publication	Hellmann, Benjamin J.; Kamps, Ina; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6536 - 6538
a	25.8849 ± 0.0019 Å
b	12.5835 ± 0.0009 Å
c	17.2346 ± 0.0013 Å
α	90°
β	129.264 ± 0.003°
γ	90°
Cell volume	4346.3 ± 0.6 Å³
Cell temperature	225 ± 2 K
Ambient diffraction temperature	225 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112798.cif
112094	2014-04-29	cif/ Adding structures of 7112797, 7112798, 7112799 via cif-deposit CGI script.	7112798.cif