Crystallography Open Database

Information card for entry 4027044

Preview

Coordinates	4027044.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino [4,5-d][1,4,2]oxazasilin-9a-yl)methanol
Formula	C10 H23 N O3 Si2
Calculated formula	C10 H23 N O3 Si2
SMILES	[Si]1(OCC2(N(C[Si](OC2)(C)C)C1)CO)(C)C
Title of publication	Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine
Authors of publication	Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	2382 - 2388
a	6.0574 ± 0.0005 Å
b	11.2877 ± 0.0012 Å
c	21.5246 ± 0.0016 Å
α	90°
β	105.601 ± 0.006°
γ	90°
Cell volume	1417.5 ± 0.2 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 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	0.0706
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
178449 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70.	4027044.cif
81112	2013-04-14	cif/ Adding structures of 4027044 via cif-deposit CGI script.	4027044.cif