Crystallography Open Database

Information card for entry 4070795

Preview

Coordinates	4070795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N3 O6 Si
Calculated formula	C23 H25 N3 O6 Si
SMILES	[Si](c1cccc2cccc(N(C)C)c12)(C)(C)CCOC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1
Title of publication	Structural Investigations into the β-Effect of Pentavalent Silicon
Authors of publication	Spiniello, Marisa; White, Jonathan M.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	5
Pages of publication	994
a	9.341 ± 0.001 Å
b	10.443 ± 0.001 Å
c	11.71 ± 0.004 Å
α	90°
β	99.72 ± 0.02°
γ	90°
Cell volume	1125.9 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070795.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070795.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070795.cif
42706	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070795 via cif-deposit CGI script.	4070795.cif