Information card for entry 4074340

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 ų
• 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 Fobs: No