Crystallography Open Database

Information card for entry 4074340

Preview

Coordinates	4074340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cl N O4 Si
Calculated formula	C18 H20 Cl N O4 Si
SMILES	[Cl-].[Si]1(c2cc3c(OCO3)cc2)(c2ccc3OCOc3c2)CC[NH2+]CC1
Title of publication	Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)
Authors of publication	Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5396
a	10.3219 ± 0.0006 Å
b	11.117 ± 0.0007 Å
c	30.546 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3505.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178632 (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 4/07/43.	4074340.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074340.cif
48321	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074337, 4074338, 4074339, 4074340, 4074341 via cif-deposit CGI script.	4074340.cif