Information card for entry 4074337

Structure parameters

• Formula: C16 H16 O6 Si
• Calculated formula: C16 H16 O6 Si
• SMILES: c1(ccc2c(c1)OCO2)[Si](OC)(c1cc2c(cc1)OCO2)OC
• 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: 6.1159 ± 0.0004 Å
• b: 13.2116 ± 0.0014 Å
• c: 19.8763 ± 0.0016 Å
• α: 90°
• β: 94.58 ± 0.009°
• γ: 90°
• Cell volume: 1600.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No