Information card for entry 4074338

Structure parameters

• Formula: C18 H16 O4 Si
• Calculated formula: C18 H16 O4 Si
• SMILES: [Si](c1ccc2OCOc2c1)(c1cc2OCOc2cc1)(C=C)C=C
• 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: 6.3816 ± 0.0006 Å
• b: 18.6027 ± 0.0014 Å
• c: 13.6152 ± 0.0012 Å
• α: 90°
• β: 102.442 ± 0.011°
• γ: 90°
• Cell volume: 1578.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No