Information card for entry 7154890

Structure parameters

• Formula: C30 H30 N3 O7 S
• Calculated formula: C30 H30 N3 O7 S
• 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: 13.818 ± 0.002 Å
• b: 14.714 ± 0.002 Å
• c: 14.863 ± 0.003 Å
• α: 76.01 ± 0.004°
• β: 82.84 ± 0.004°
• γ: 70.291 ± 0.003°
• Cell volume: 2757.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2054
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No