Information card for entry 7153368

Structure parameters

• Formula: C20 H30 N2 O4 Si
• Calculated formula: C20 H30 N2 O4 Si
• SMILES: [C@@H]12[C@@](CCC[C@@H](N(C1=O)Cc1ccccc1)C(=O)N2C)(OC)O[Si](C)(C)C.[C@H]12[C@](CCC[C@H](N(C1=O)Cc1ccccc1)C(=O)N2C)(OC)O[Si](C)(C)C
• Title of publication: Bicyclic sigma receptor ligands by stereoselective Dieckmann analogous cyclization of piperazinebutyrate.
• Authors of publication: Sunnam, Sunil Kumar; Schepmann, Dirk; Wibbeling, Birgit; Wünsch, Bernhard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 16
• Pages of publication: 3715 - 3722
• a: 8.9326 ± 0.0001 Å
• b: 10.1183 ± 0.0001 Å
• c: 11.8959 ± 0.0001 Å
• α: 82.32 ± 0.001°
• β: 80.314 ± 0.001°
• γ: 86.226 ± 0.001°
• Cell volume: 1049.32 ± 0.018 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No