Information card for entry 7154887

Structure parameters

• Formula: C17 H31 N O4 Si
• Calculated formula: C17 H31 N O4 Si
• SMILES: [Si](OC[C@]1(NC(=O)O[C@H]1[C@]1(OC1)C)C1CCC1)(C(C)(C)C)(C)C.[Si](OC[C@@]1(NC(=O)O[C@@H]1[C@@]1(OC1)C)C1CCC1)(C(C)(C)C)(C)C
• Title of publication: Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.
• Authors of publication: Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2057 - 2089
• a: 12.1292 ± 0.0018 Å
• b: 14.039 ± 0.002 Å
• c: 12.6549 ± 0.0019 Å
• α: 90°
• β: 115.27 ± 0.003°
• γ: 90°
• Cell volume: 1948.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No